[gmx-users] Re: Removing molecules from .trr and .gro

[Dallas Warren]

Thank you to Xavier, found out how to edit the .gro files.  All you need to 
do is use editconf and an index file of the system.  Very simple and now I 
understand more how the index files are untilised etc.

editconf -f conf.gro -n index.ndx -o conf_nowat.gro

Works a treat now :-)

Note to who ever administrates this emailing list, can you possibly set the 
Reply-To field to gmx-users at gromacs.org?  If you hit reply the To field is 
set to the person that sent it, not the emailing list.

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy
Monash University
dallas.warren at vcp.monash.edu.au
+61 3 9903 9076
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