[gmx-users] problem in NPT equilibriation

soumadwip ghosh soumadwipghosh at gmail.com
Wed Nov 5 16:23:18 CET 2014

Dear Justin,
                Thanks for the prompt reply. I am keeping all the nstxout =
500 so that energy frames will be read after 1 ps and also decoupled the
SOL and ion groups. Is it ok now?

Thanks and regards,

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