On Thu, Feb 27, 2014 at 3:08 PM, George Tzotzos <gtzotzos.me.com> wrote:
> Hi Jason,
>
> The earlier incarnation of MMPBSA.py had a strip_mdcrd command that could
> be set to 0 "Do not strip strip_mask from the initial trajectory".
>
> I guess this is not applicable with AmberTools 13.
>
In my opinion this flag was redundant. If you do not give a solvated
topology (take out -sp), it will not try to strip any solvent.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Feb 27 2014 - 12:30:03 PST
