[gmx-users] SD simulation of Ethane and Methane

[M Hafizur Rahman]

Hi all:

I tried to produce the distribution of ethane using SD integrator of GROMACS 4.0. It appears that the distribution obtained from SD is different from the one obtained using MD. However,  I can produce the distribution of Methane using SD that matches the one obtained using  MD. Distibution is attached. All the  files, including the tabluated potential (which I used for interactions among atoms), are attached. I am not sure if I am missing anything for ethane SD.  

I would really appreciate if anyone can help me to find out why I am getting an unexpected distribution for ethane using SD integrator.

Thanks,
M. H. Rahman
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