subject:"\[gmx\-users\] Parmbsc1 force\-field"

Re: [gmx-users] Parmbsc1 force-field

2018-03-06 Thread Dan Gil

Hi Dr. Lindahl,

Thank you for clarifying - it helps a lot!

Best Regards,

Dan

On Tue, Mar 6, 2018 at 6:20 AM, Viveca Lindahl 
wrote:

> Hi Dan,
>
> No, it can be confusing. After reading your email I even dug up an old
> email thread where we (confusedly) discussed this topic.
>
> Most importantly is to not use the Na-parameters that I think are by
> default present in the gromacs implementation, which leads to ion crystals
> (DOI: 10.1021/jp0765392). The two references you cite, Smith & Dang 1994
> and Dang 1995, are quite similar. I emailed with parmbsc1 developers and
> their experience was the same. Together with parmbsc0, other authors have
> used Dang 1995, so that's how our choice came about. To follow the parmbsc1
> authors you should indeed use the paper they cite.
>
>
>
> --
> Viveca
>
>
> On Mon, Mar 5, 2018 at 4:49 PM, Dan Gil  wrote:
>
> > Hi Dr. Lindahl,
> >
> > Thanks for putting the force-field together! It is helping my research
> very
> > much. Right now I am just checking over everything to make sure I didn't
> > make any silly mistakes, and that everything is justified.
> >
> > I might be just confusing myself, but the parmbsc1 paper is citing this
> > paper (http://aip.scitation.org/doi/pdf/10.1063/1.466363) for the Na+
> > parameters... whereas the citation for the force-field you put together
> is
> > this one (https://pubs.acs.org/doi/abs/10.1021/ja00131a018). They have
> > different values for the 12-6 sigma and epsilon.
> >
> > Same authors, but the one you chose is a newer work than the other one.
> Is
> > that why you chose the parameters from this paper?
> >
> > Best Regards,
> >
> > Dan
> >
> > On Mon, Mar 5, 2018 at 8:32 AM, Viveca Lindahl 
> > wrote:
> >
> > > Hi Dan,
> > >
> > > I'm the author together (with Alessandra Villa). I hope it helps others
> > > providing the parameters on the website, but as Mark said, it's up to
> you
> > > to double-check it. If you do find actual errors, I'm interested in
> > hearing
> > > about it :)
> > >
> > > --
> > > Viveca
> > >
> > >
> > > On Fri, Mar 2, 2018 at 5:19 PM, Dan Gil  wrote:
> > >
> > > > Hello, update here.
> > > >
> > > > I think there is a possibility that the parmbsc1 force-field updated
> on
> > > the
> > > > gromacs website has some incorrect values.
> > > >
> > > > In the parmbsc1 paper (https://www.nature.com/
> articles/nmeth.3658.pdf)
> > > > they
> > > > say they use Na+ parameters from this paper (
> > > > http://aip.scitation.org/doi/pdf/10.1063/1.466363).
> > > >
> > > > .sigma (Å)epsilon (kcal/mol)
> > > > Na+   2.350  0.1300
> > > >
> > > > Here is what I find in the GROMACS force-field.
> > > >
> > > > .sigma (nm)epsilon (kJ/mol)
> > > > Na+   0.25840.4184
> > > >
> > > > I would like to directly contact the author, but I have no means at
> the
> > > > moment.
> > > >
> > > > Best Regards,
> > > >
> > > > Dan
> > > >
> > > > On Thu, Mar 1, 2018 at 7:00 PM, Dan Gil 
> wrote:
> > > >
> > > > > Hi,
> > > > >
> > > > > I am using the parmbsc1 force-field (http://www.gromacs.org/@api/d
> > > > > eki/files/260/=amber99bsc1.ff.tgz) in GROMACS. I am looking for
> the
> > > > > original paper where the Na+ and Cl- ion 12-6 Lennard-Jones are
> > coming
> > > > > from, but I am having trouble finding them.
> > > > >
> > > > > The Amber17 manual suggests that this paper (
> > > > https://pubs.acs.org/doi/pdf/
> > > > > 10.1021/ct500918t) is the source for monovalent ions. But, the
> values
> > > > > from the GROMACS parmbsc1 force-field (ffnonbonded.itp) does not
> > match
> > > > the
> > > > > values from the paper, I think.
> > > > >
> > > > > Could you point me to the right direction? Citing the original
> paper
> > is
> > > > > something important to me, but I have apparently hit a dead end.
> > > > >
> > > > > Best Regards,
> > > > >
> > > > > Dan Gil
> > > > > PhD Student
> > > > > Department of Chemical and Biomolecular Engineering
> > > > > Case Western Reserve University
> > > > >
> > > > --
> > > > Gromacs Users mailing list
> > > >
> > > > * Please search the archive at http://www.gromacs.org/
> > > > Support/Mailing_Lists/GMX-Users_List before posting!
> > > >
> > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > > >
> > > > * For (un)subscribe requests visit
> > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users
> or
> > > > send a mail to gmx-users-requ...@gromacs.org.
> > > >
> > > --
> > > Gromacs Users mailing list
> > >
> > > * Please search the archive at http://www.gromacs.org/
> > > Support/Mailing_Lists/GMX-Users_List before posting!
> > >
> > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > >
> > > * For (un)subscribe requests visit
> > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > > send a mail to gmx-users-requ...@gromacs.org.
> > >
> > --
> >

Re: [gmx-users] Parmbsc1 force-field

2018-03-06 Thread Viveca Lindahl

Hi Dan,

No, it can be confusing. After reading your email I even dug up an old
email thread where we (confusedly) discussed this topic.

Most importantly is to not use the Na-parameters that I think are by
default present in the gromacs implementation, which leads to ion crystals
(DOI: 10.1021/jp0765392). The two references you cite, Smith & Dang 1994
and Dang 1995, are quite similar. I emailed with parmbsc1 developers and
their experience was the same. Together with parmbsc0, other authors have
used Dang 1995, so that's how our choice came about. To follow the parmbsc1
authors you should indeed use the paper they cite.



--
Viveca


On Mon, Mar 5, 2018 at 4:49 PM, Dan Gil  wrote:

> Hi Dr. Lindahl,
>
> Thanks for putting the force-field together! It is helping my research very
> much. Right now I am just checking over everything to make sure I didn't
> make any silly mistakes, and that everything is justified.
>
> I might be just confusing myself, but the parmbsc1 paper is citing this
> paper (http://aip.scitation.org/doi/pdf/10.1063/1.466363) for the Na+
> parameters... whereas the citation for the force-field you put together is
> this one (https://pubs.acs.org/doi/abs/10.1021/ja00131a018). They have
> different values for the 12-6 sigma and epsilon.
>
> Same authors, but the one you chose is a newer work than the other one. Is
> that why you chose the parameters from this paper?
>
> Best Regards,
>
> Dan
>
> On Mon, Mar 5, 2018 at 8:32 AM, Viveca Lindahl 
> wrote:
>
> > Hi Dan,
> >
> > I'm the author together (with Alessandra Villa). I hope it helps others
> > providing the parameters on the website, but as Mark said, it's up to you
> > to double-check it. If you do find actual errors, I'm interested in
> hearing
> > about it :)
> >
> > --
> > Viveca
> >
> >
> > On Fri, Mar 2, 2018 at 5:19 PM, Dan Gil  wrote:
> >
> > > Hello, update here.
> > >
> > > I think there is a possibility that the parmbsc1 force-field updated on
> > the
> > > gromacs website has some incorrect values.
> > >
> > > In the parmbsc1 paper (https://www.nature.com/articles/nmeth.3658.pdf)
> > > they
> > > say they use Na+ parameters from this paper (
> > > http://aip.scitation.org/doi/pdf/10.1063/1.466363).
> > >
> > > .sigma (Å)epsilon (kcal/mol)
> > > Na+   2.350  0.1300
> > >
> > > Here is what I find in the GROMACS force-field.
> > >
> > > .sigma (nm)epsilon (kJ/mol)
> > > Na+   0.25840.4184
> > >
> > > I would like to directly contact the author, but I have no means at the
> > > moment.
> > >
> > > Best Regards,
> > >
> > > Dan
> > >
> > > On Thu, Mar 1, 2018 at 7:00 PM, Dan Gil  wrote:
> > >
> > > > Hi,
> > > >
> > > > I am using the parmbsc1 force-field (http://www.gromacs.org/@api/d
> > > > eki/files/260/=amber99bsc1.ff.tgz) in GROMACS. I am looking for the
> > > > original paper where the Na+ and Cl- ion 12-6 Lennard-Jones are
> coming
> > > > from, but I am having trouble finding them.
> > > >
> > > > The Amber17 manual suggests that this paper (
> > > https://pubs.acs.org/doi/pdf/
> > > > 10.1021/ct500918t) is the source for monovalent ions. But, the values
> > > > from the GROMACS parmbsc1 force-field (ffnonbonded.itp) does not
> match
> > > the
> > > > values from the paper, I think.
> > > >
> > > > Could you point me to the right direction? Citing the original paper
> is
> > > > something important to me, but I have apparently hit a dead end.
> > > >
> > > > Best Regards,
> > > >
> > > > Dan Gil
> > > > PhD Student
> > > > Department of Chemical and Biomolecular Engineering
> > > > Case Western Reserve University
> > > >
> > > --
> > > Gromacs Users mailing list
> > >
> > > * Please search the archive at http://www.gromacs.org/
> > > Support/Mailing_Lists/GMX-Users_List before posting!
> > >
> > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> > >
> > > * For (un)subscribe requests visit
> > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > > send a mail to gmx-users-requ...@gromacs.org.
> > >
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at http://www.gromacs.org/
> > Support/Mailing_Lists/GMX-Users_List before posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-requ...@gromacs.org.
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
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>
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Re: [gmx-users] Parmbsc1 force-field

2018-03-05 Thread Dan Gil

Hi Dr. Lindahl,

Thanks for putting the force-field together! It is helping my research very
much. Right now I am just checking over everything to make sure I didn't
make any silly mistakes, and that everything is justified.

I might be just confusing myself, but the parmbsc1 paper is citing this
paper (http://aip.scitation.org/doi/pdf/10.1063/1.466363) for the Na+
parameters... whereas the citation for the force-field you put together is
this one (https://pubs.acs.org/doi/abs/10.1021/ja00131a018). They have
different values for the 12-6 sigma and epsilon.

Same authors, but the one you chose is a newer work than the other one. Is
that why you chose the parameters from this paper?

Best Regards,

Dan

On Mon, Mar 5, 2018 at 8:32 AM, Viveca Lindahl 
wrote:

> Hi Dan,
>
> I'm the author together (with Alessandra Villa). I hope it helps others
> providing the parameters on the website, but as Mark said, it's up to you
> to double-check it. If you do find actual errors, I'm interested in hearing
> about it :)
>
> --
> Viveca
>
>
> On Fri, Mar 2, 2018 at 5:19 PM, Dan Gil  wrote:
>
> > Hello, update here.
> >
> > I think there is a possibility that the parmbsc1 force-field updated on
> the
> > gromacs website has some incorrect values.
> >
> > In the parmbsc1 paper (https://www.nature.com/articles/nmeth.3658.pdf)
> > they
> > say they use Na+ parameters from this paper (
> > http://aip.scitation.org/doi/pdf/10.1063/1.466363).
> >
> > .sigma (Å)epsilon (kcal/mol)
> > Na+   2.350  0.1300
> >
> > Here is what I find in the GROMACS force-field.
> >
> > .sigma (nm)epsilon (kJ/mol)
> > Na+   0.25840.4184
> >
> > I would like to directly contact the author, but I have no means at the
> > moment.
> >
> > Best Regards,
> >
> > Dan
> >
> > On Thu, Mar 1, 2018 at 7:00 PM, Dan Gil  wrote:
> >
> > > Hi,
> > >
> > > I am using the parmbsc1 force-field (http://www.gromacs.org/@api/d
> > > eki/files/260/=amber99bsc1.ff.tgz) in GROMACS. I am looking for the
> > > original paper where the Na+ and Cl- ion 12-6 Lennard-Jones are coming
> > > from, but I am having trouble finding them.
> > >
> > > The Amber17 manual suggests that this paper (
> > https://pubs.acs.org/doi/pdf/
> > > 10.1021/ct500918t) is the source for monovalent ions. But, the values
> > > from the GROMACS parmbsc1 force-field (ffnonbonded.itp) does not match
> > the
> > > values from the paper, I think.
> > >
> > > Could you point me to the right direction? Citing the original paper is
> > > something important to me, but I have apparently hit a dead end.
> > >
> > > Best Regards,
> > >
> > > Dan Gil
> > > PhD Student
> > > Department of Chemical and Biomolecular Engineering
> > > Case Western Reserve University
> > >
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at http://www.gromacs.org/
> > Support/Mailing_Lists/GMX-Users_List before posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-requ...@gromacs.org.
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-requ...@gromacs.org.
>
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Re: [gmx-users] Parmbsc1 force-field

2018-03-05 Thread Viveca Lindahl

Hi Dan,

I'm the author together (with Alessandra Villa). I hope it helps others
providing the parameters on the website, but as Mark said, it's up to you
to double-check it. If you do find actual errors, I'm interested in hearing
about it :)

--
Viveca


On Fri, Mar 2, 2018 at 5:19 PM, Dan Gil  wrote:

> Hello, update here.
>
> I think there is a possibility that the parmbsc1 force-field updated on the
> gromacs website has some incorrect values.
>
> In the parmbsc1 paper (https://www.nature.com/articles/nmeth.3658.pdf)
> they
> say they use Na+ parameters from this paper (
> http://aip.scitation.org/doi/pdf/10.1063/1.466363).
>
> .sigma (Å)epsilon (kcal/mol)
> Na+   2.350  0.1300
>
> Here is what I find in the GROMACS force-field.
>
> .sigma (nm)epsilon (kJ/mol)
> Na+   0.25840.4184
>
> I would like to directly contact the author, but I have no means at the
> moment.
>
> Best Regards,
>
> Dan
>
> On Thu, Mar 1, 2018 at 7:00 PM, Dan Gil  wrote:
>
> > Hi,
> >
> > I am using the parmbsc1 force-field (http://www.gromacs.org/@api/d
> > eki/files/260/=amber99bsc1.ff.tgz) in GROMACS. I am looking for the
> > original paper where the Na+ and Cl- ion 12-6 Lennard-Jones are coming
> > from, but I am having trouble finding them.
> >
> > The Amber17 manual suggests that this paper (
> https://pubs.acs.org/doi/pdf/
> > 10.1021/ct500918t) is the source for monovalent ions. But, the values
> > from the GROMACS parmbsc1 force-field (ffnonbonded.itp) does not match
> the
> > values from the paper, I think.
> >
> > Could you point me to the right direction? Citing the original paper is
> > something important to me, but I have apparently hit a dead end.
> >
> > Best Regards,
> >
> > Dan Gil
> > PhD Student
> > Department of Chemical and Biomolecular Engineering
> > Case Western Reserve University
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-requ...@gromacs.org.
>
-- 
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* Please search the archive at 
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Re: [gmx-users] Parmbsc1 force-field

2018-03-02 Thread Dan Gil

Yes! Thank you so much.

On Fri, Mar 2, 2018 at 11:37 AM, Mark Abraham 
wrote:

> Hi,
>
> This is not an official GROMACS offering, so as always, buyer beware. But
> the forcefield.doc file notes the source of the Na+ parameters as
> https://pubs.acs.org/doi/abs/10.1021/ja00131a018. Does that cover the
> question?
>
> Mark
>
> On Fri, Mar 2, 2018 at 5:20 PM Dan Gil  wrote:
>
> > Hello, update here.
> >
> > I think there is a possibility that the parmbsc1 force-field updated on
> the
> > gromacs website has some incorrect values.
> >
> > In the parmbsc1 paper (https://www.nature.com/articles/nmeth.3658.pdf)
> > they
> > say they use Na+ parameters from this paper (
> > http://aip.scitation.org/doi/pdf/10.1063/1.466363).
> >
> > .sigma (Å)epsilon (kcal/mol)
> > Na+   2.350  0.1300
> >
> > Here is what I find in the GROMACS force-field.
> >
> > .sigma (nm)epsilon (kJ/mol)
> > Na+   0.25840.4184
> >
> > I would like to directly contact the author, but I have no means at the
> > moment.
> >
> > Best Regards,
> >
> > Dan
> >
> > On Thu, Mar 1, 2018 at 7:00 PM, Dan Gil  wrote:
> >
> > > Hi,
> > >
> > > I am using the parmbsc1 force-field (http://www.gromacs.org/@api/d
> > > eki/files/260/=amber99bsc1.ff.tgz) in GROMACS. I am looking for the
> > > original paper where the Na+ and Cl- ion 12-6 Lennard-Jones are coming
> > > from, but I am having trouble finding them.
> > >
> > > The Amber17 manual suggests that this paper (
> > https://pubs.acs.org/doi/pdf/
> > > 10.1021/ct500918t) is the source for monovalent ions. But, the values
> > > from the GROMACS parmbsc1 force-field (ffnonbonded.itp) does not match
> > the
> > > values from the paper, I think.
> > >
> > > Could you point me to the right direction? Citing the original paper is
> > > something important to me, but I have apparently hit a dead end.
> > >
> > > Best Regards,
> > >
> > > Dan Gil
> > > PhD Student
> > > Department of Chemical and Biomolecular Engineering
> > > Case Western Reserve University
> > >
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-requ...@gromacs.org.
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-requ...@gromacs.org.
-- 
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Re: [gmx-users] Parmbsc1 force-field

2018-03-02 Thread Mark Abraham

Hi,

This is not an official GROMACS offering, so as always, buyer beware. But
the forcefield.doc file notes the source of the Na+ parameters as
https://pubs.acs.org/doi/abs/10.1021/ja00131a018. Does that cover the
question?

Mark

On Fri, Mar 2, 2018 at 5:20 PM Dan Gil  wrote:

> Hello, update here.
>
> I think there is a possibility that the parmbsc1 force-field updated on the
> gromacs website has some incorrect values.
>
> In the parmbsc1 paper (https://www.nature.com/articles/nmeth.3658.pdf)
> they
> say they use Na+ parameters from this paper (
> http://aip.scitation.org/doi/pdf/10.1063/1.466363).
>
> .sigma (Å)epsilon (kcal/mol)
> Na+   2.350  0.1300
>
> Here is what I find in the GROMACS force-field.
>
> .sigma (nm)epsilon (kJ/mol)
> Na+   0.25840.4184
>
> I would like to directly contact the author, but I have no means at the
> moment.
>
> Best Regards,
>
> Dan
>
> On Thu, Mar 1, 2018 at 7:00 PM, Dan Gil  wrote:
>
> > Hi,
> >
> > I am using the parmbsc1 force-field (http://www.gromacs.org/@api/d
> > eki/files/260/=amber99bsc1.ff.tgz) in GROMACS. I am looking for the
> > original paper where the Na+ and Cl- ion 12-6 Lennard-Jones are coming
> > from, but I am having trouble finding them.
> >
> > The Amber17 manual suggests that this paper (
> https://pubs.acs.org/doi/pdf/
> > 10.1021/ct500918t) is the source for monovalent ions. But, the values
> > from the GROMACS parmbsc1 force-field (ffnonbonded.itp) does not match
> the
> > values from the paper, I think.
> >
> > Could you point me to the right direction? Citing the original paper is
> > something important to me, but I have apparently hit a dead end.
> >
> > Best Regards,
> >
> > Dan Gil
> > PhD Student
> > Department of Chemical and Biomolecular Engineering
> > Case Western Reserve University
> >
> --
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Re: [gmx-users] Parmbsc1 force-field

2018-03-02 Thread Dan Gil

Hello, update here.

I think there is a possibility that the parmbsc1 force-field updated on the
gromacs website has some incorrect values.

In the parmbsc1 paper (https://www.nature.com/articles/nmeth.3658.pdf) they
say they use Na+ parameters from this paper (
http://aip.scitation.org/doi/pdf/10.1063/1.466363).

.sigma (Å)epsilon (kcal/mol)
Na+   2.350  0.1300

Here is what I find in the GROMACS force-field.

.sigma (nm)epsilon (kJ/mol)
Na+   0.25840.4184

I would like to directly contact the author, but I have no means at the
moment.

Best Regards,

Dan

On Thu, Mar 1, 2018 at 7:00 PM, Dan Gil  wrote:

> Hi,
>
> I am using the parmbsc1 force-field (http://www.gromacs.org/@api/d
> eki/files/260/=amber99bsc1.ff.tgz) in GROMACS. I am looking for the
> original paper where the Na+ and Cl- ion 12-6 Lennard-Jones are coming
> from, but I am having trouble finding them.
>
> The Amber17 manual suggests that this paper (https://pubs.acs.org/doi/pdf/
> 10.1021/ct500918t) is the source for monovalent ions. But, the values
> from the GROMACS parmbsc1 force-field (ffnonbonded.itp) does not match the
> values from the paper, I think.
>
> Could you point me to the right direction? Citing the original paper is
> something important to me, but I have apparently hit a dead end.
>
> Best Regards,
>
> Dan Gil
> PhD Student
> Department of Chemical and Biomolecular Engineering
> Case Western Reserve University
>
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[gmx-users] Parmbsc1 force-field

2018-03-01 Thread Dan Gil

Hi,

I am using the parmbsc1 force-field (http://www.gromacs.org/@api/
deki/files/260/=amber99bsc1.ff.tgz) in GROMACS. I am looking for the
original paper where the Na+ and Cl- ion 12-6 Lennard-Jones are coming
from, but I am having trouble finding them.

The Amber17 manual suggests that this paper (
https://pubs.acs.org/doi/pdf/10.1021/ct500918t) is the source for
monovalent ions. But, the values from the GROMACS parmbsc1 force-field
(ffnonbonded.itp) does not match the values from the paper, I think.

Could you point me to the right direction? Citing the original paper is
something important to me, but I have apparently hit a dead end.

Best Regards,

Dan Gil
PhD Student
Department of Chemical and Biomolecular Engineering
Case Western Reserve University
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Re: [gmx-users] Parmbsc1 force-field

Re: [gmx-users] Parmbsc1 force-field

Re: [gmx-users] Parmbsc1 force-field

Re: [gmx-users] Parmbsc1 force-field

Re: [gmx-users] Parmbsc1 force-field

Re: [gmx-users] Parmbsc1 force-field

Re: [gmx-users] Parmbsc1 force-field

[gmx-users] Parmbsc1 force-field

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