swati patel wrote:
Hello Justin,
Somehow I obtained ligand and protein topology in charmm force fields.
After command grompp,I am getting an error "No such moleculetype LIG"
where lig is my ligand abbreviation.
Any suggestions for my error??
Have you done the proper tutorial material? The is one for protein-ligand
complexes that will show you how to set up the topology and coordinate files
appropriately. I posted the link earlier today; it is also available on the
Gromacs website on the Tutorials page.
-Justin
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
