> Maybe I'm missing something... (social skills according to > some ;)), but afaik it should function properly. Perhaps
No, they are missing the 6 elements required for the coupling constants and reference pressure. As follows: > > > ;Pressure coupling > > > Pcoupl = berendsen > > > Pcoupltype = anisotropic > > > tau_p = 5.0 5.0 5.0 5.0 5.0 5.0 > > > compressibility = 0 0 1e-5 0 0 0 > > > ref_p = 1.0 1.0 1.0 1.0 1.0 1.0 Catch ya, Dr. Dallas Warren Lecturer Department of Pharmaceutical Biology and Pharmacology Victorian College of Pharmacy, Monash University 381 Royal Parade, Parkville VIC 3010 [EMAIL PROTECTED] +61 3 9903 9524 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. _______________________________________________ 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
