On Thu, Nov 12, 2020, MYRIAN TORRES RICO wrote:
>Ok, I have obtained a file.crd...and now? Have I to launch again the
>simulation with this new coordinates input?
>(I have compared this new file.crd with my leap.rst and both are similar...)
You don't say anything about how you made this new file. But yes, if it
fixes problems identified by cpptraj, you should use that to start a new
simulation.
Please don't be afraid to experiment! It only takes a few seconds to
see if you still get an error on the first step. You may need to
re-minimize first if you are starting over.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Nov 12 2020 - 06:00:02 PST
