On Fri, Oct 10, 2014 at 9:54 PM, 王漠野 <wangmoye13.mails.ucas.ac.cn> wrote:
>
>
> OK,I get it.Wtih Amber10 this problem cannot be solved suitably
> indeed.Thank you very much.
>
That's not what I meant. Dan's response was still appropriate for the
problem you reported. I'm just saying that there is no advantage to using
Amber 10 to Amber 14 for REMD calculations (since pmemd 10 did not support
REMD).
Upgrading to AmberTools 14 will not necessarily fix your problem (see Dan's
answer for that), but it could definitely help limit the problems you
encounter.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Oct 10 2014 - 19:30:02 PDT
