ahmet yıldırım wrote:
Dear users,
Is there anyone has a tutorial of the ligand have more than one molecules?
Perhaps you can describe in more detail what it is you hope to accomplish. The
procedure for dealing with multiple ligands is, in principle, no different from
a single ligand. There are not tutorials available for every variation of a
procedure.
-Justin
For example:
*_topol.top:_*
[ molecules ]
; Compound #mols
Protein_chain_A 1
Protein_chain_B 1
*ligandname * 3
Thanks in advance
--
Ahmet YILDIRIM
--
========================================
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
