[AMBER] Reg. generating empty frcmod file for ligand molecule

From: DHEERAJ CHITARA <rs138.iiita.ac.in>
Date: Thu, 17 May 2018 17:33:01 +0530

Dear Amber Users,

For the protein ligand molecule preparation parmchk2 generates empty frcmod
file which having no information about MASS,
BOND, ANGLE, DIHE, IMPROPER, NONBON for PEG
<https://www.rcsb.org/ligand/PEG> ( DI(HYDROXYETHYL)ETHER ).
So how can I further proceed and go about adding the values manually for
further steps necessary to carry out protein ligand preparation. 



-- 
----
Dheeraj Chitara
Research Scholar,
4315, High Performance Computing Lab.
Computer Center-2,
Indian Institute of Information Technology,
Allahabad - 211015
India.
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Received on Thu May 17 2018 - 05:30:03 PDT
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