Dear GROMCS users: I found the following past discussions in the gmx-users ML.
[gmx-users] simulations using structureless surface-2 Mark Abraham mark.abraham at anu.edu.au Fri Jul 27 01:56:17 CEST 2007 ----------------------------------------------------------- > Dear gmx users, > my apologies for the previous post. I will try to rephrase my problem. > > Is it possible to introduce a plane in a particular direction, for example > in z direction, where molecules interact with it only based on the > perpendicular distance between the molecules and the plane? Yes, this is possible to do, but it is not implemented. Possibly something in the distance restraints section may do what you want. See the manual. ----------------------------------------------------------- I'm considering similar thing and I want to rewrite the GROMACS source code relating the "position restraints" (guessing better than "distance restraints"). Could someone kindly tell me which code(s) should I rewrite to change consistently the potential function of the "position restraints". Thank you for advance. Makoto Yoneya, Dr. AIST Tsukuba, JAPAN _______________________________________________ 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
