Hi,
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,
Abhishek
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Nov 16 2016 - 08:00:03 PST
