[gmx-users] Broken lipid molecules
ramkishna72 at gmail.com
Fri Sep 20 23:21:03 CEST 2013
At the end of a MD run, the lipid molecules in a membrane protein are
broken. I load .gro and .trr file into VMD to watch MD simulations, the
lipids are broken at periodic boundaries.
I try to fix it by trjconv -pbc nojump but output came with only 2 frames
but initially it was 1500 frames.
How to fix whole MD trajectory?
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