[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 <mariabiochemist1 at gmail.com> 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-request at gromacs.org.