From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Thu Aug 22 2013 - 02:16:39 CDT
1st of all, what kind of inputs do you use charm(psf/pdb) or amber(top/crd), or otherwise vmd or xleap/tleap ?
Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag von rasti
Gesendet: Donnerstag, 22. August 2013 00:19
Betreff: namd-l: hi every body,
i used to apply Amber for running my simulations and i have recently started using NAMD so iam really new to this.
the structure iam working with, has got an unusual residue (methylated Val) and i think it makes the top/par files not to work ... my be there is a patch missing??
how can i add one to substitute the NH of Val with methyl?
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