[gmx-users] [solved] Using CHARMM force fields in Gromacs, pt. 2

Jernej Zidar jernej.zidar at gmail.com
Tue Feb 21 01:58:39 CET 2012

@Peter C. Lai:
  I did like you suggested and now the two forcefields work in tandem
as expected.

@Mark Abraham:
  Thank you for the explanation.

Jernej Zidar

On Mon, Feb 20, 2012 at 15:27,  <gmx-users-request at gromacs.org> wrote:
>>   There's no need to patch the forcefields.dat file because Gromacs
>> will first look for the forcefields in /opt/share/gromacs/top/ and
>> later in the local directory.
> oh ok. I added an entry anyway because I liked having the main charmm36
> one grouped with the charmm36cgen one in the menu..

More information about the gromacs.org_gmx-users mailing list