Hi, I know it looks a little bit strange, but i was trying to restrain just some water in my system. Now, if i put something like [ position_restraints ] ; i funct fcx fcy fcz 1 1 1000 1000 1000 I put restraints on all the molecules. I thought about a turnaround, just making a second water molecule type, but now complains about using more than one settle type. Is there any other way to do it? And if I follow the "Suggestion: change the least use settle constraints into 3 normal constraints" I have to worry about some kind of huge loss in performance? Thank you
Guido -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
