Date: Thu, 17 Mar 2016 21:06:00 -0500 (CDT)
Dear Amber users and developers,
I had a trouble in building prmtop and inpcrd files for nitro tyrosine.
Therefore, I practiced to build tyrosine prmtop and inpcrd files.
I generated nty.prepin (nty=new tyrosine) (attached), nty.frcmod
(attached), and nty.lib (attached). However, new tyrosine is incorrect
(nty.jpq, attached). G09 output file for tyrosine resp charge is attached
too.
Could you please help me to solve the problem? Thank you in advance!
Wu Xu
Department of Chemistry
University of Louisiana at Lafayette
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- application/octet-stream attachment: tyr210-resp.out
- application/octet-stream attachment: nty.frcmod
- application/octet-stream attachment: nty.inpcrd
- application/octet-stream attachment: nty.prepin
- application/octet-stream attachment: nty.prmtop
(image/jpeg attachment: nty.jpg)
