<
> gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Justin
> Lemkul
> Sent: 18 May 2015 20:29
> To: gmx-us...@gromacs.org
> Subject: Re: [gmx-users] mdp options for charmm27 force field in gromacs
> version 4.6.7
>
> On 5/18/15 2:21 PM, Christopher Neale w
on behalf of Justin
> Lemkul
> Sent: 18 May 2015 20:29
> To: gmx-us...@gromacs.org
> Subject: Re: [gmx-users] mdp options for charmm27 force field in gromacs
> version 4.6.7
>
> On 5/18/15 2:21 PM, Christopher Neale wrote:
> > Dear Users:
> >
> > I would l
nd see if I can
> find valid settings.
>
> Thank you,
> Chris.
>
>
> From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se <
> gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of Justin
> Lemkul
> Sent: 18 May 201
...@maillist.sys.kth.se
[gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of Justin Lemkul
[jalem...@vt.edu]
Sent: 19 May 2015 12:39
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] mdp options for charmm27 force field in gromacs
version 4.6.7
On 5/19/15 5:37 AM, Piggot T. wrote:
> Hi Chris,
>
On 5/19/15 5:37 AM, Piggot T. wrote:
Hi Chris,
As far as I understand it, before GROMACS 5 the potential rather than the
force was switched off. Since GROMACS 5 you can choose between the two.
As for the settings to use with the CHARMM force field, the CHARMM package
itself (as Justin has sai
on behalf of Justin Lemkul
Sent: 18 May 2015 20:29
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] mdp options for charmm27 force field in gromacs
version 4.6.7
On 5/18/15 2:21 PM, Christopher Neale wrote:
> Dear Users:
>
> I would like to use the charmm27 force field in gromacs
mx-us...@gromacs.org
Subject: Re: [gmx-users] mdp options for charmm27 force field in gromacs
version 4.6.7
On 5/18/15 2:21 PM, Christopher Neale wrote:
> Dear Users:
>
> I would like to use the charmm27 force field in gromacs version 4.6.7 and I
> would like to know if it is possible
On 5/18/15 2:21 PM, Christopher Neale wrote:
Dear Users:
I would like to use the charmm27 force field in gromacs version 4.6.7 and I
would like to know if it is possible to get the proper treatment of vdw
interactions.
Information for gromacs 5 is here:
http://www.gromacs.org/Documentation/
Dear Users:
I would like to use the charmm27 force field in gromacs version 4.6.7 and I
would like to know if it is possible to get the proper treatment of vdw
interactions.
Information for gromacs 5 is here:
http://www.gromacs.org/Documentation/Terminology/Force_Fields/CHARMM
However, Gromacs
