Re: [gmx-users] Charmm ff compatibility with Gromacs

[Erik Marklund]

Dear Maria,

Please see below.

Kind regards,
Erik

> On 5 Apr 2017, at 09:08, maria khan  wrote:
> 
> Hello Gromacs users..
> 
> Charmm 37 ff is for charmm and Namd which is all atom ff using codes,,and
> gromacs is united atom so how can its results will be reliable as these are
> different things??.My protein of interest is having DNA..
> 

This does not make sense. What do you mean by “using codes”? And while gromacs 
can do united atom, all-atom force fields are routinely used with gromacs.

> Secondly how can i find ff parameters for my ligand of interest?? also if
> ff parameters are not in published form then it means i will not be able to
> use that ligand for MD run??
> 
> Regards..
> -- 
> 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.

[gmx-users] Charmm ff compatibility with Gromacs

[maria khan]

Hello Gromacs users..

Charmm 37 ff is for charmm and Namd which is all atom ff using codes,,and
gromacs is united atom so how can its results will be reliable as these are
different things??.My protein of interest is having DNA..

Secondly how can i find ff parameters for my ligand of interest?? also if
ff parameters are not in published form then it means i will not be able to
use that ligand for MD run??

Regards..
-- 
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.