Yan Gao 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!
Create an index group that contains the species you want.
-Justin
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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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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