AMBER Archive (2008)

Subject: Re: AMBER: how generate the final output file using mmpbsa

From: Miguel Ortiz-Lombardía (ibdeno_at_gmail.com)
Date: Sat May 24 2008 - 01:40:40 CDT

Hi,

In a similar case, I modified the mm_pbsa.pl script to just calculate the
statistics from the data available. The modified version is attached, I hope
it helps.

Miguel

2008/5/23 <luzhenw1_at_msu.edu>:

> Hi, all:
>
> I have a question about mmpbsa. since the current mm_pbsa.pl script is
> not parallel, I tried to run several mmpbsa for one complex trajectory. the
> question is, after I finished the calculation for all the snapshots, how can
> I combine all the output files together to generate statistics.out file? I
> noticed that there is one statistics.in file, however, it seems not
> useful. Thanks.
>
>
>
>
>
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