[AMBER] problem with paiwise energy decomposition using mm-pbsa

From: <moitrayee.mbu.iisc.ernet.in>
Date: Sat, 24 Apr 2010 00:20:14 +0530 (IST)

Dear Amber Users,

I ran into a weird problem during pairwise residue-residue interaction energy
When I extract snapshots from two of my trajectories say x1.crd and x2.crd, and
run decompostion I get an error "Missing BELE for MM in 2 (residue 985371)".

However, if I just used snapshots extracted from either x1.crd or x2.crd
individually there is no problem and 2zni_statistics.out is written without any
error message.

I am very much confused and any help in this regard will be highly appreciated.

Thanks a lot in advance.

Sincere Regards,

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Received on Fri Apr 23 2010 - 12:30:04 PDT
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