[gmx-users] All-atom MD simulation of a protein at 323K and 283K

Pappu Kumar papuu_k at yahoo.com
Thu May 8 09:01:35 CEST 2014

I am trying to compare the stability of a protein from two organisms which live in the aforesaid temperature. I am wondering it would make sense to run MD simulation in gromacs with Amber99sb in these temperature since force field parameterization was carried out in room temperature. 

I am also thinking about running simulated annealing from 323K to 283K in order to compare the stability of the two proteins. Thank you.

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