On Fri, Aug 11, 2017, Mohammad Zahidul Hossain Khan wrote:
>
> I know but I need the link or tutorial for SASA energy. I am gromaces user
> so I need to convert my files also
1. I'm not sure you need to convert any files: have you had trouble with
cpptraj reading gromacs trajectory files?
2. You can also use the "molsurf" command in AmberTools: it just takes a pqr
file as input. Only does one snapshot at a time, but pqr is a pretty standard
format.
....dac
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Received on Sat Aug 12 2017 - 07:00:03 PDT
