[gmx-users] Why the rmsd value has been varied from different hardware for same protein?

Seera Suryanarayana palusoori at gmail.com
Tue Dec 2 06:56:08 CET 2014


Dear Gromacs Users
I have done simulation of one protein in different computers such as
GPU(tesla C2075), cpu and cluster(two different nodes with 32 processors)
for 5ns. I got different rmsd values for the same protein, but I used same
minimized structure in all the computers. My question is what could be the
reason for the different rmsd? You can find the rmsd graph in the
attachment.

Surya
Graduate student
India.


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