[gmx-users] (no subject)

FAISAL NABI fnabi at myamu.ac.in
Sat Mar 14 09:32:36 CET 2020


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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