[gmx-users] Charmm ff compatibility with Gromacs

Erik Marklund erik.marklund at kemi.uu.se
Wed Apr 5 10:03:11 CEST 2017

Dear Maria,

Please see below.

Kind regards,

> 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..
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