Dear All, I want to do a lipid simulation using NPAT ensemble. This is how I am defining the .mdp file. I am not sure of these values though, kindly correct me if I am doing something wrong.
compressibility = 0 0 0 0 0 0 ; off diagonals are zero too! ref_p 0 1 pcoupltype semiisotropic ; requires two values x/y and z. __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com _______________________________________________ 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