From: Abhishek TYAGI (atyagiaa_at_connect.ust.hk)
Date: Thu Sep 08 2016 - 06:37:37 CDT
Please try FFTK tool kit available in VMD, it will solve your problem.
All the best
Chemical and Biomolecular Engineering
Hong Kong University of Science and Technology
Clear Water Bay, Hong Kong
From: owner-namd-l_at_ks.uiuc.edu <owner-namd-l_at_ks.uiuc.edu> on behalf of Mahrukh Imtiaz <mahrukhimtiaz92_at_REMOVE_yahoo.com>
Sent: Thursday, September 8, 2016 5:54:35 PM
Subject: namd-l: Query regarding parameter file generation of non standard residue
I am currently facing some problems in generating a Charmm parameter file for a non standard amino acid i.e. Glucose attached to Asparagine (N-glycosylation). I have generated an optimized structure of this non standard residue via Gaussian and determined the bond, angle and dihedral constraints. However, I am unable to calculate the force constant value for above mentioned constraints. Any help regarding this issue would be highly appreciated as I am new at parameters generation.
COMSATS Islamabad, Pakistan
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