Jason,
I checked the patches and amber bugfixes failed here:
patching file src/pmemd/src/prmtop_dat.fpp
Hunk #1 FAILED at 1156.
1 out of 1 hunk FAILED -- saving rejects to file src/pmemd/src/prmtop_dat.fpp.rej
patching file src/mm_pbsa/mm_pbsa_createinput.pm
Hunk #1 FAILED at 580.
1 out of 1 hunk FAILED -- saving rejects to file src/mm_pbsa/mm_pbsa_createinput.pm.rej
Abertools patch failed here:
patching file src/ptraj/trajectory.h
Hunk #1 FAILED at 107.
1 out of 1 hunk FAILED -- saving rejects to file src/ptraj/trajectory.h.rej
Do you have any ideas to fix it ?
Thanks
Xueqin
--- 10年2月2日，周二, Jason Swails <jason.swails.gmail.com> 写道：
发件人: Jason Swails <jason.swails.gmail.com>
主题: Re: [AMBER] mmpbsa error: No data for 0+2 MM BOND 200
收件人: "AMBER Mailing List" <amber.ambermd.org>
日期: 2010年2月2日,周二,下午12:16
Have you applied all of the relevant bug fixes?
On Mon, Feb 1, 2010 at 8:25 PM, xueqin pang <pangxueqintea.yahoo.com.cn> wrote:
> Hello everyone,
>
> When doing mm-pbsa with my protein-ligand system for a 200 snapshots, I get the error: No data for 0+2 MM BOND 200. But it is alright when calculate a 100 and 130 snapshots. And it is alright with mmgbsa too.
>
> So do you have any suggestions on this problem?
>
> Thanks so much
>
> Xueqin
>
> DICP CAS
>
>
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--
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Mon Feb 01 2010 - 23:00:02 PST
