> I have the following Notes during NPT equilibration. > > NOTE 1 [file pr_NPT.mdp]: > nstcomm < nstcalcenergy defeats the purpose of nstcalcenergy, setting > nstcomm to nstcalcenergy > > > NOTE 2 [file pr_NPT.mdp]: > leapfrog does not yet support Nose-Hoover chains, nhchainlength reset to 1 > > What do they really mean? Is the system safe with these notes? > > Peterson J
Peterson J -- These are not errors, as you say in the title, but just notes, and I think they mean exactly what is written. What force field are you using for a POPC bilayer? Just curious... Cordially, Dr. Vitaly V. Chaban, 430 Hutchison Hall Dept. Chemistry, University of Rochester 120 Trustee Road, Rochester, NY 14627-0216 THE UNITED STATES OF AMERICA -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
