Chanchal wrote:
Hi All,
I want to perform MD simulation of a protein in implicit solvent using
gromacs 4.0.7. I looked into the manual but did not get any information
regarding the implicit solvent. Is it avilable in gromacs? I searched in
the mailing list and found someone in older mail said its not avilable.
If it is avilable, could anybody please give me the mdp option. Is it
okay to use 43a1 FF?
It is not available. Implicit solvent has been implemented in the development
code and is expected in the next release. I think I posted the same thing just
yesterday...
-Justin
Thanks
Chanchal
--
========================================
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/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/mailing_lists/users.php
