[gmx-users] Rerun a period of trajectory with more frequent output.

Dd H ddhecnu at gmail.com
Wed Jul 20 16:14:14 CEST 2016


Hi
I have completed a protein-ligand MD simulation using Gromacs v4.5.5 and
found protein undergoes a large conformational change. But sampling is too
sparse to get intermediate states. In order to get some intermediate
states I have to rerun the confromational change period of trajectory with
more frequent coordinates output. So if there is a convenient way to do
this? I don't want to rerun the whole trajectory since it's time-consuming.

Thank you in advance.
ddh


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