[gmx-users] REMD output
Louise.Wright at warwick.ac.uk
Wed Oct 19 12:55:35 CEST 2011
I want to double check, the output from an REMD simulation with Gromacs is the trajectory at constant Temp and whe you demux it with demux.pl, this is the trajectory of the replica which starts at a given tempurature and how it evolves through time?
For instance, if _0.tpr file corresponds to temp of 300K then the traj_0.xtc will be the trajectory structures all at temp 300K and after demuxing, a different file labelled for example 0_final_traj.xtc is not at constant temp.
Thanks for the help
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