Hi,
You need to use make_ndx to merge the MOL and ION into a new index group
and then use that group in trjconv
Cheers
Tom
--On 07 October 2009 15:32 -0700 Yan Gao <y1...@ucsd.edu> wrote:
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,
Stone
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----------------------
TJ Piggot
t.pig...@bristol.ac.uk
University of Bristol, UK.
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