[gmx-users] How to add NaCl to bulk liquid water
zgz215 at gmail.com
Wed Dec 9 22:54:29 CET 2009
Given the configuration file of a bulk SPCE water system, how can I add
a Na+ and Cl- into it using some gromacs or vmd tool? I tried autoionize
tool in vmd, but failed due to no psf file; then I tried autopsfgen tool,
failed again due to no proper topology file that can recognize SPCE water.
Thanks in advance !
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