[gmx-users] Normal mode analysis of pure water

simon sangma simoniitchem at gmail.com
Tue Oct 20 16:17:19 CEST 2009

Hi  Justin,
                Are you suggesting that after thorough energy minimization,
seperate .mdp file is to be used for NMA? In that case how would that output
file (energy minimised file) be taken as an input file for the grompp and
mdrun command (for NMA)? What extension would the file have (.what) ?
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