Re: [gmx-users] Re: gmx-users Digest, Vol 86, Issue 84

On 14/06/2011 5:10 PM, Ravi Kumar Venkatraman wrote: Dear Sir/Madam, Please help me to find that why we need to run NVT and then NPT in equilibriation run and not the vice-versa. See http://www.gromacs.org/Documentation/How-tos/Steps_to_Perform_a_Simulation Mark -

[gmx-users] Re: gmx-users Digest, Vol 86, Issue 84

Dear Sir/Madam, Please help me to find that why we need to run NVT and then NPT in equilibriation run and not the vice-versa. Thank you in advance Ravi Kumar V IPC dept., IISC, INDIA. -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/li