Hi , I was also engaged in dealing with the problem about the course grain model . I find that in this CG force field , the potential functions almost don't correspond to that in the gromacs.
Hence, I wonder whether you know to how to define these new potential functions. Thank you in advance. Yang ________________________________________ From: [EMAIL PROTECTED] [EMAIL PROTECTED] On Behalf Of xuji [EMAIL PROTECTED] Sent: Sunday, October 19, 2008 1:47 AM To: gmx-users@gromacs.org Subject: [gmx-users] How can I generate a Input *.gro file of coarse grain model? Dear all gromacs users: I am trying to use the MARTINI CG force field from Marrink et al. in my simulation. But I don't konw how to generate the input *.gro files. When I use all-atom model, in gromacs I can use "genbox" "editconf" et al to generate the input *.gro files. For example, I can use "genbox -cs -box 10 10 10 -o waterbox.gro" to generate pure water box. But if I only have the files downloaded from "http://md.chem.rug.nl/~marrink/MARTINI/Parameters.html"; , and I use a *.top file which contains: #include "martini_v2.0.itp" #include "martini_v2.0_lipids.itp" [ system ] DPPC BILAYER [ molecules ] DPPC 128 W 2000 Can I generate a *.gro file according to this topology file using Gromacs' tools? If can, how do it? Appreciate any help in advance! _______________________________________________ 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 _______________________________________________ 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
