[gmx-users] Can we calculate rmsd from after energy minimization?

Seera Suryanarayana palusoori at gmail.com
Mon Dec 1 07:19:06 CET 2014

Dear Gromacs Users

I would like to know whether  it possible to calculate rmsd immediately
after energy minimization step, in other words from em.tpr and em.trr file.

I tried to calculate the rmsd by using above mentioned files, but I have
got nothing.

If it is possible to calculate the rmsd from the energy minimized
structure, kindly tell me how do we do it.

Thanks in advance
Graduate student

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