Yang ye, Thank you very much.
I have three different monomers in my system, so I have 6 different regular VMDs and 6 different 1-4 interactions. Could you please tell me how to organize those table.xvg files? energygrps = gp1 gp2 gp3 gp4 gp5 gp6 ... gp12 energygrp_table = A A B B C C A B A C B C A14 A14 B14 B14 C14 C14 A14 B14 A14 C14 B14 C14 If I set as the above, I wonder how gromacs know the last 6 table is for 1-4 interaction. All the best! Dongsheng On Wed, 2006-07-12 at 09:54 +0800, Yang Ye wrote: > mdrun -tablep > > Dongsheng Zhang wrote: > > Hello, GMX users, > > > > I have a coarse-grained model. Both 1-4 and regular vdw interaction are > > tabulated, but no electrostatic interaction. Since there is no entry for > > 1-4 interaction in energy_table. I am thinking to fool gromacs by > > treating 1-4 interactions as electrostatic interactions, in other words, > > every time when 1-4 interaction energy needed, I will ask gromacs to > > calculate COUL energy by reading energy_table. Does anyone know where > > 1-4 interaction is calculated and how I can switch it to calculate COUL > > energy in the source code? Any help will be highly appreciated! > > > > > > All the best! > > > > > > Dongsheng > > _______________________________________________ > > gmx-users mailing list gmx-users@gromacs.org > > http://www.gromacs.org/mailman/listinfo/gmx-users > > 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 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 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
