[gmx-users] understanding the output of REMD

[sreelakshmi ramesh]

dear all ,
I am new to ReMD simulations.And i done a trial run of 100 ps for 7 replicas
. if i view the log file for output i get something like this for every
replica
for one of the replica the log file looks like this

Replica exchange at step 1000 time 2
Repl 0 <-> 1  dE =  6.793e+02  dpV =  0.000e+00  d =  6.793e+02
Repl ex  0    1    2    3    4    5    6
Repl pr   .00       .00       .00
Replica exchange at step 2000 time 4
Repl ex  0    1    2    3    4    5    6
Repl pr        .00       .00       .00
Replica exchange at step 3000 time 6
Repl 0 <-> 1  dE =  6.790e+02  dpV =  0.000e+00  d =  6.790e+02
Repl ex  0    1    2    3    4    5    6
Repl pr   .00       .00       .00
Replica exchange at step 4000 time 8
Repl ex  0    1    2    3    4    5    6
Repl pr        .00       .00       .00
Replica exchange at step 5000 time 10
Repl 0 <-> 1  dE =  6.874e+02  dpV =  0.000e+00  d =  6.874e+02
Repl ex  0    1    2    3    4    5    6
Repl pr   .00       .00       .00
Replica exchange at step 6000 time 12
Repl ex  0    1    2    3    4    5    6
Repl pr        .00       .00       .00
Replica exchange at step 7000 time 14
Repl 0 <-> 1  dE =  6.535e+02  dpV =  0.000e+00  d =  6.535e+02
Repl ex  0    1    2    3    4    5    6
Repl pr   .00       .00       .00

i had attached only  few lines of log file.can any one tel me how to
understand the output.

regards,
sree.
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