Hi Hess, Thanks for your comments, although we have difference in this topic. The carrier of depletion force at least for me is not sure. So we want to do a test anyway in this way.
Regards, Jian -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Berk Hess Sent: Friday, July 20, 2007 4:30 PM To: gmx-users@gromacs.org Subject: RE: [gmx-users] FW: rvdw >From: "Yin Jian" <[EMAIL PROTECTED]> >Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org> >To: "Discussion list for GROMACS users" <gmx-users@gromacs.org> >Subject: RE: [gmx-users] FW: rvdw >Date: Fri, 20 Jul 2007 15:40:33 +0800 > >Thanks, Hess. >The idea behind this order difference in coarse-grained scaling size >is to keep solvent relative smaller to the target particle, or say >after coarse-graining, solvent is still solvent and solute is still >solute. > > >Regards, >Jian I don't understand what you mean with the second sentence. But with respect to the first one, in most cases it does not make much sense to have small solvent particles around a big coarse-grained particle, since there will be no specific interactions between the solvent and the big solvent particle. One can therefore just as well use large solvent particles and speed up the simulation. Berk. _________________________________________________________________ Play online games with your friends with Messenger http://www.join.msn.com/messenger/overview _______________________________________________ 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