> However, it still shows the message about coordinate overflow as before. The five minimization steps run fine. The
> error occurs in the 06md.in script (stage).
>
> Let me know what you think I should try next.
As mentioned, print every step mdout and trajectory; look at mdout,
visualize trajectory... --tec3
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Nov 04 2022 - 17:00:03 PDT
