[gmx-users] trjconv to process multiple types of molecules

Yan Gao y1gao at ucsd.edu
Thu Oct 8 00:32:13 CEST 2009

Hi There,

I have a problem using trjconv to get the trajectory.
I have three types of molecules: MOL, ION, SOL
and I want to convert only 2 types of them, how ever trjconv seems only 
accept one input.
I want to keep only MOL and ION, and avoid the large amount of SOL, which 
will reduce the analysis a lot.

Any suggestions will be appreciated!

Group     0 (      System) has 14260 elements
Group     1 (         MOL) has  2640 elements
Group     2 (         SOL) has 11580 elements
Group     3 (         ION) has    40 elements

Warm regards,

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