AMBER Archive (2005)

Subject: AMBER: amber 8 problem

From: Vojtěch Klusák (klusak_at_uochb.cas.cz)
Date: Mon Jan 31 2005 - 07:01:35 CST


Dears.

I have the following problem with AMBER 8.

Running command:

sander -O -i sander.in1 -o sander.out1 -r mdrest1 -e mden1 -c prmcrd1 -p

prmtop1

with the input files attached, I get a 'not-a-number' value in mden1
file (also attached).
It is a trifle bug, but causes problems to some program automatically
processing
sander output files.

Thank you very much.

Vojta









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