table of contents
eneconv(1) | GROMACS suite, VERSION 4.5.4-dev-20110404-bc5695c | eneconv(1) |
NAME¶
eneconv - converts energy filesSYNOPSIS¶
eneconv -f ener.edr -o fixed.edr -[no]h -[no]version -nice int -b real -e real -dt real -offset real -[no]settime -[no]sort -[no]rmdh -scalefac real -[no]errorDESCRIPTION¶
With multiple files specified for the -f option:FILES¶
-f ener.edr Input, Mult.Energy file
Energy file
OTHER OPTIONS¶
-[no]hnoPrint help info and quit
Print version info and quit
Set the nicelevel
First time to use
Last time to use
Only write out frame when t MOD dt = offset
Time offset for -dt option
Change starting time interactively
Sort energy files (not frames)
Remove free energy block data
Multiply energy component by this factor
Stop on errors in the file
KNOWN PROBLEMS¶
- When combining trajectories the sigma and E2 (necessary for statistics) are not updated correctly. Only the actual energy is correct. One thus has to compute statistics in another way.SEE ALSO¶
gromacs(7)Mon 4 Apr 2011 |