[AMBER] HMassRepartition

From: Thakur, Abhishek <axt651.miami.edu>
Date: Wed, 16 Nov 2016 15:38:23 +0000


I have carried out two different GB/SA simulation, igb=5 and all the parameters same

1. With HMassRepartition with dt=0.004 and in 20ns I found that my dimer opened.

2.Simple Gb/SA with dt=0.001 and in 20ns I have found my dimer has not moved at all.

I cannot get the reason behind this, as both have same duration of simulation. Can this be possible or I have done some mistake>

Thanking you,

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Received on Wed Nov 16 2016 - 08:00:03 PST
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