[gmx-users] Regarding protein folding kinetics
sikart21 at yahoo.in
Mon Jun 9 15:32:09 CEST 2014
I would like to get the protein folding kinetics from the REMD simuliaton I tried using g_kinetics with the fraction of native contact. which says 1 is folded state and 0.6 is partial folded state and 0.2 is unfolded state I am running with the following command but it is not predicting the folding rate and melting temperature it says nan for folding rate and No melting temperature detected between 260 and 420K
"g_kinetics -f replica_temp.xvg -d DATA_MUTANT_MOD.xvg -o2 -o3 -o -ee -g -m -T 300 -tu us -cut 1 -ucut 0.6"
If any one could help me in this regard it would be of great help
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