Fabrizio Marinelli wrote:
Hi all,
I have downloaded the latest git version of gromacs (yesterday) in which
it is possible to use the charmm27 force field, I constructed the topology
for my protein using the pdb2gmx program, everything goes ok also with the
solvation, but then when i run the MD i notice that coulomb and LJ
interaction are 0 and also the protein consequently unfold.
Did any of you found this kind of problem? Could some of you rpopose
eventually a solution?
Can you post your .mdp file?
-Justin
Thanks in advance,
Fabrizio
----------------------------------------------------------------
SISSA Webmail https://webmail.sissa.it/
Powered by SquirrelMail http://www.squirrelmail.org/
--
========================================
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 [email protected]
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 [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
