[gmx-users] Question about use of tpbconv

[Joanne Hanna]

Hi

I have a quick question. When you use tpbconv to continue runs what exactly is taken from the *.edr and *.trr files? For instance if I have to run my simulation in short batches of 1ns is it sufficient to just use the run3 files to continue the run (2ns-3ns) or should thr run1, run2 and run3 files by concatenated and then a run4 file generated using the complete edr and trr files.

Thanks
Jo

Joanne Hanna
Department of Chemistry
University of Warwick
Coventry
CV4 7AL

(02476) 574623
J.F.Hanna at warwick.ac.uk