[gmx-users] How can I remove water and ion molecules

[Dallas B. Warren]

Or you could try using the make_ndx utility, make an index file with one
of the groups containing all the molecules you want to keep, then run
either editconf (if want to remove them from the .gro / .pdb files) or
trajconv (if want to remove them from trajectory files).

Catch ya,

Dr. Dallas Warren
Lecturer
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9524
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