[gmx-users] Doubt regarding popc simulations
minnale_gnos at rediffmail.com
Thu Jul 24 19:17:50 CEST 2008
I want to ask one question regarding time of POPC simulations, this may be trivial query to you that is how long time normally popc alone simulations have to run? I know that if potential energy plot shows values from high to low which depicts stable graph we can stop the simulation and start doing analysis. If consider the Tieleman POPC molecule it will come energy stable from 1.5ns to final time you run.
In my case the potential energy has got stabilsed from 1.5ns so I have simulated till 5ns and stopped the POPC simulation so can I start further analysis like area per lipid, density of bilyer etc ? or I have to run some more time then I have to start membrane analysis?
Could anyone suggest me please.
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