convert .dcd into .trr

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
 
                
---------------------------------
New Yahoo! Messenger with Voice. Call regular phones from your PC and save big.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:42:00 CST