[gmx-users] Post processing REMD simulation

Mohammad Madani mohammad.madani at uconn.edu
Sun Apr 12 05:41:04 CEST 2020


Dear all,
Hi.
I have problems about the analysis of the REMD simulation. I run the remd
for folding the protein.

I have 191 replicas, the temperature range is 300K to 500K. I ran the
simulation 16 ns for each replica. and the exchange rate is between
0.3-0.4.
Now, I have one trr file and one log file for each replica in its
temperature.
I do not how can analysis these outputs.

Could you please help me with this?

Many thanks.

Mohammad


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