Hi
Is there any way at all to do an implicit solvent simulation in
Gromacs? I am trying to do an in vacuo minimization, but the
structure is blowing up and getting highly distorted. I am guessing
it is because of the overwhelming electrostatic interactions in
vacuum. So I want to use a continuum solvent model to do this if I
can. I could use another program, but then it may not be a
'controlled experiment'
Thanks
Ashutosh Jogalekar
Emory University
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