Thanks a lot, Hess. By the way, what is the cutoff criteria used in Gromacs, is it nonzero overlap between LJ-spheres or the mass-centers reside in the LJ-sphere? Since these two are significantly different in the dynamics way of cutoff. I may take a look of the code ns.c. later.
Regards, Jian -----Original Message----- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Berk Hess Sent: Friday, July 20, 2007 4:56 PM To: [email protected] Subject: RE: [gmx-users] FW: rvdw >From: "Yin Jian" <[EMAIL PROTECTED]> >Reply-To: Discussion list for GROMACS users <[email protected]> >To: "Discussion list for GROMACS users" <[email protected]> >Subject: RE: [gmx-users] FW: rvdw >Date: Fri, 20 Jul 2007 16:40:09 +0800 > >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 Ah, now I understand what you want to do. For that it would help to have different cut-offs. We are (currently) not going to implement such a thing. But is should not be too difficult to modify the cut-off check for the neighborlist in ns.c. Berk. _________________________________________________________________ Need a brain boost? Recharge with a stimulating game. Play now! http://club.live.com/home.aspx?icid=club_hotmailtextlink1 _______________________________________________ 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 _______________________________________________ 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
