thanks!
Alessandro Mattozzi M.Phil., Ph.D. student Dept. of Fibre and Polymer Technology Royal Institute of Technology Stockholm, Sweden -----Original Message----- From: [EMAIL PROTECTED] on behalf of Berk Hess Sent: Mon 7/3/2006 11:36 AM To: gmx-users@gromacs.org Subject: RE: [gmx-users] Compiling;Van der Waals: switch attractive term off >From: "Alessandro Mattozzi" <[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] Compiling;Van der Waals: switch attractive term >off >Date: Mon, 3 Jul 2006 11:15:48 +0200 > >My idea is to do as suggested by van der Vegt in 1996JChPh.105.8849V. The >attractive part of the LJ is turn off to avoid monomers from sticking >together. Van der Vegt is my supervisor. I just called him to ask what he did. Setting all C6 parameters to zero would accomplish what you want. So you can set them to zero in the force field/topology file or edit the code. As I said, I guess the first thing would be easier. Berk. _______________________________________________ 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
<<winmail.dat>>
_______________________________________________ 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
