On Wed, Feb 4, 2015 at 4:38 PM, Anya Leach <aleach4.mix.wvu.edu> wrote:
> Hello,
>
> I have run into the following error after attempting to run MD on cis
> azobenzene:
>
>
>
> *Error opening unit 30: File "vac_cis2.rst" is missing or unreadable*
> I have altered the frcmod file by changing the ca-ne-nf-ca dihedral bonds
> form 0.0 to 180.0 (following suggestion in this email exchange
> http://archive.ambermd.org/200804/0125.html).
>
This problem seems unrelated to the frcmod file to me.
>
> The molecule remained in cis after therminimization (as seen in VMD through
>
> vac_cis2.rst output), but sander is not reading this rst file for MD. I am
>
> unsure how to resolve this issue.
>
Is it in the same directory you are running sander from? What is the
sander command that you are running? Unit 30 is *not* the inpcrd file
(that is unit 9 if memory serves), nor is it the restart file.
Perhaps you accidentally used the wrong command-line flags?
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Feb 04 2015 - 16:00:02 PST
