Dear all, I simulated a box of pure water usin NPT. I use gmx96 force field and standard mdp file for the gmx96 force field. The time scale of dipole correlation function is 2.8ps, which is different from David's result 3.8ps in the JCP paper. Is this 3.8ps sensitive to the mdp file or the force field? I just wonder if there is a bug in my program. I tried a lot, but still can't get 3.8ps. Really appretiate your idea, I have struggled for this for a long time.
Yours Tanping _______________________________________________ gmx-users mailing list [email protected] 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
