From: Shirley Li (li19104_at_yahoo.com)
Date: Tue May 02 2006 - 12:37:53 CDT
Dear NAMD expert,
I have a question about converting NAMD dcd file into .trr format for GROMACS analysis. With "catdcd", the timing information gets lost. So when the .trr file is used for g_covar (GROMACS tool) in the following way:
for ((i=500;i<=10000;i+=500)); do g_covar -f prod0t10.trr -s prod10.pdb -mwa -o eigen$i.xvg -e $i < G-TOOLS.IN/g_covar_ca.in; done
The output files eigen$i.xvg will be the same for all $i. I wonder if anybody has any clue what's wrong. Is there any other way to convert .dcd into .trr?
Any information/suggestion will be appreciated.
Shirley
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