SeungPyo Hong a écrit :
Dear gmx-users,
Recently I want to perform MD for protein with implicit solvent model.
Gromacs does not seem to support it.
Could you let me know where to find information about implicit solvent
simulation with Gromacs?
Also I will be glad if you tell me your opinion about the implicit
solvent simulation to protein.
Thank you.
There is no Generalised-Born approach implemented (at least available)
but you may consider reaction field. See chapter 7, paragraph
"Electrostatics and VdW".
Cheers,
Stéphane
--
Stéphane Téletchéa, PhD. http://www.steletch.org
Unité Mathématique Informatique et Génome http://migale.jouy.inra.fr/mig
INRA, Domaine de Vilvert Tél : (33) 134 652 891
78352 Jouy-en-Josas cedex, France Fax : (33) 134 652 901
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.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
