[gmx-users] is it necessary to mdrun posre_npt.mdp first and then posre_nvt.mdp

Pradip Kaur kaur.pradip253 at gmail.com
Wed Mar 30 17:23:05 CEST 2016


i have run posre_npt.mdp first and then posre_nvt.mdp by mistake but now
going through gromacs manual i found that posre_nvt.mdp is first run and
then posre_npt.mdp, but i have already started  md.mdp run with
posre_nvt.pdb (which was last generated pdb file after mdrun of
posre_nvt.mdp ) there is no error till now, should i need to stop my run or
continue with it ?


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