[gmx-users] (no subject)

Dallas Warren dallas.warren at monash.edu
Mon Mar 16 14:21:30 CET 2020


Download and use the forcefield files from the ATB server website, and then
make that you correctly point to it in your top file.

On Sat, 14 Mar. 2020, 7:32 pm FAISAL NABI, <fnabi at myamu.ac.in> wrote:

> Hi,
> I have been a new user and i was following the protein-ligand complex
> tutorial for MD. I have used GROMOS96 54a7 FF and to build ligand topology
> i have used ATB webserver. I did download the .itp and .pdb file from there
> and converted that to .gro file. The problem i am facing is it shows an
> error while i add ions that "Atomtype CAro not found", although i have
> added the atomtypes in the gromacs topology file still it's showing the
> same error. I request if somebody could provie me a stepwise protocol i
> could follow.
>
> Thank you
>
> --
>
> Faisal Nabi
>
> *Pre-Doctoral Fellow (CSIR-JRF)*
> C/o Professor Rizwan Hassan Khan
> Interdisciplinary Biotechnology Unit,
> Aligarh Muslim University, Aligarh, UP, INDIA.
> Email-            *fnabi at myamy.ac.in <fnabi at myamy.ac.in>*
> *                      faisalbiochem at gmail.com <faisalbiochem at gmail.com>*
> Contact no. - *+91-8923713214*
> --
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