Thanks Hai. You are right--I messed up with the commit ID of my local stuff ☹
You can find those changes by "gitk 22f4337e29df382cb8d10bb5fb38ce0b4a47a859" under the master branch.
Taisung
-----Original Message-----
From: Hai Nguyen [mailto:nhai.qn.gmail.com]
Sent: Wednesday, September 25, 2019 4:29 PM
To: AMBER Developers Mailing List <amber-developers.ambermd.org>
Subject: Re: [AMBER-Developers] requirement for an even number of replicas in replica exchange?
On Wed, Sep 25, 2019 at 4:25 PM Jason Swails <jason.swails.gmail.com> wrote:
> On Wed, Sep 25, 2019 at 3:16 PM <taisung.gmail.com> wrote:
>
> > The even/odd-number replica fix commit is
> > 68082da1bd1afc6ab9b69ffe2912ca4060e160bf (the amber19-with-patches
> branch)
> >
> > Also, to enable this capability, one needs to add "gremd_acyc=1" in
> > the input file.
> >
>
> swails.Batman ~/amber (master) $ git fetch gitlab swails.Batman
> ~/amber (master) $ git log gitlab/amber19-with-patches
> 68082da1bd1afc6ab9b69ffe2912ca4060e160bf
> fatal: bad object 68082da1bd1afc6ab9b69ffe2912ca4060e160bf
>
> I don't see this commit anywhere.
>
May be it's "Merge Request !272"
Branches: lbsr_temp → master
1. Create place holders for sams.F90
2. Remove all incorrect copyright statements
3. Create place holders for TI-restraints
4. Add different treatments of cross-boundary 1-4 interactions
5. Fix a random crash bug with systems having < 32 atoms
6. Add ability to handle odd-number replicas of H-REMD for TI/FEP
Hai
> Thanks,
> Jason
>
> --
> Jason M. Swails
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
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Received on Wed Sep 25 2019 - 15:30:01 PDT
