On Mon, Dec 5, 2016 at 11:12 AM, Adrian Roitberg <roitberg.ufl.edu> wrote:
>
>
> On 12/5/16 8:56 AM, Jason Swails wrote:
> > On Mon, Dec 5, 2016 at 7:46 AM, Fabrício Bracht <fabracht1.gmail.com>
> wrote:
> >
> >> Hi. The first part of the question is regarding ntcnstph and ntrelax
> >> variables. Since the ntrelax value controls the solvent relaxation
> period
> >> after a state change, should the ntcnstph times the number of titratable
> >> residues be larger than the ntrelax value?
> >>
> Hi,
> Just to be clear, Jason wanted to write "
>
> Note that in EXPLICIT solvent, *every* titratable residue attempts to
>
Yea, ^^^ that one :-[
--
Jason M. Swails
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Received on Mon Dec 05 2016 - 08:30:03 PST
