[gmx-users] For parametrisation
soham9038 at gmail.com
Sat Apr 6 21:57:33 CEST 2019
Generate an itp file for your molecule according to your force field. In
the respective force field folder in aminoacids.rtp file define your
molecule's atom name and bond connectivity and you are done.
On Sun, 7 Apr 2019, 1:24 am subrat ranjan tripathy, <
subratlipatripathy190 at gmail.com> wrote:
> How to get rid of the fatal error when create the topol file for creaol?
> How to find the paramiterise file for cresol?
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