On 4/20/13 4:38 AM, zyduscadila wrote:
Dearall,
I know little bit Gromacs.
I want to do MD simulation of Ligand(Without receptor) and also want use
solvent like dmso,methanol.
Can anyone suggest me How I can do this ?
You would proceed like any other simulation. Obtain or generate a configuration
and topology of the molecule of interest as well as the solvent, #include the
solvent topology in the solute .top, and proceed.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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