On Tue, Jun 26, 2007, In Hee Park wrote:
>
> Although setting "iwrap=1" is recommended to keep the coordinate output
> from overflowing the trajectory file format, this option can be used PME
> run only. Now, it just shifting to explicit(or hybrid)-REMD the only
> possible way to make my dimer REMD possible? Is there no way to resolve
> the overflow problem under GB?
>
I think the nscm option can be used to do what you want for GB runs.
...dac
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jun 27 2007 - 06:07:36 PDT
