On May 6, 2008, at 8:37, Arnab Senapati wrote:
Hi, can anyone tell me how to run a NVT simulation in gromacs.
N and V are kept constant "by default". The temperature (average) can be kept constant by using one of the temperature coupling algorithms (Berendsen or Nosé-Hoover). Settings should be made in the .mdp file. Refer to the manual, the tutorial and material on the Gromacs homepage to learn more about the fundamental parts of performing simulations.
- Daniel --- Daniel Larsson Molecular Biophysics group Department of Cell and Molecular Biology Uppsala University +46-18-471 4006 (phone) +46-18-511 755 (fax) http://xray.bmc.uu.se/~larsson [EMAIL PROTECTED] _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php
