Re: amber-developers: Extra Points Calculation

From: Volodymyr Babin <>
Date: Wed, 12 Nov 2008 22:07:46 -0500 (EST)

> I did not understand your comment; does this test case pass
> in amber9 you are using or not? In my machine (using mpich2)
> and in another cluster (using openmpi), I am still getting
> the error message.


could you please issue the following command in src/sander

md5sum *.[fh] | gzip --best > ~/amber9.hash.gz

and then send the 'amber9.hash.gz' file to me.

Received on Fri Dec 05 2008 - 14:36:52 PST
Custom Search