[gmx-users] which xtc file should be used for the trjconv command
acootbrett at yahoo.com
Thu Apr 5 05:50:31 CEST 2012
In the on-line tutorial on lysozyme (http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme/09_analysis.html), there is a command
trjconv -s md_0_1.tpr -f md_0_1.xtc -o md_0_1_noPBC.xtc -pbc mol -ur compact
Will you please consider in that command whether we can change md_1_1.xtc to state.xtc?
I am looking forward to getting your reply.
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