Thank you for your kind reply, Stephane. Anyhow it is a little disappointing that Generalized-Born is not implemented in Gromacs.
Sincerely, Seungpyo Hong On 7/16/07, Stéphane Téletchéa <[EMAIL PROTECTED]> wrote:
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 [email protected] 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
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