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).
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.
Thank you,
Anya
ps. I attached my files for reference.
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Received on Wed Feb 04 2015 - 14:00:02 PST
