Dear Amber Users,
I am currently running the string method
with swamps of trajectories. For the first 1200000 steps, it ran properly
without any issues. But during one restart, I got the following error :
*** NFE-Error ** : nfe_rmsd: no convergence in svdcmp()*
It stops in the first step of the restart. I looked it up against earlier
reports but did not find any. Can anyone please help?
--
With regards,
Tanmoy
Georgia State University
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Mar 14 2022 - 11:30:02 PDT
