On Thu, Apr 3, 2014 at 6:23 PM, sumit jain <sumit.saurav.jain.gmail.com>wrote:
> Hi,
>
> I am trying to do explicit solvent cphmd with my protein and getting
> following error in production step because of icnstph=2.
>
> Since it is explicit solvent so i cannot change icnstph to 0 or 1 and it
> showing following error on value 2.
>
> I am running on Amber 12 and AmberTools 13.
>
> And i am unable to get or upgrade AmberTools 14 as mentioned by you in
> the begining of your tutorials in the link
> http://jswails.wikidot.com/explicit-solvent-cphmd
>
AmberTools 14 will be released within a couple weeks and CpHMD in explicit
solvent will be available then.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Apr 03 2014 - 16:00:02 PDT
