[gmx-users] on the MD extension command
acootbrett at yahoo.com
Thu Apr 5 12:03:09 CEST 2012
I have tried the MD command extension for several times, but for the series of *.xvg curve analysis, it always comes from the time which the extension starts, rather than the time where the original MD starts.
In order to decide whether we need to initiate the extension, we need do the trjconv analysis and the g_rms analysis, but I do not think this will change the original production MD file, thus the extension appending should not be not influenced by these analysis.
If you have the mature commands for tpbconv and mdrun for extension, which can show the *.xvg curves from the initial start of the production MD, please let me know.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users