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
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