From: sena (mohanmaruthi.sena_at_research.iiit.ac.in)
Date: Fri Dec 25 2015 - 22:29:17 CST
Hi,
You can try to use MATCH server (Brooks lab) to generate charmm topology and parmeters.
link: http://brooks.chem.lsa.umich.edu/index.php?matchserver=submit
----- Original Message -----
From: "Vidhya Sankar" <vidhyasankar7928_at_REMOVE_yahoo.com>
To: namd-l_at_ks.uiuc.edu
Sent: Saturday, December 26, 2015 8:21:57 AM
Subject: namd-l: mail reg parameters
Respected sir
when i upload the molecule in your CGenFF server
having di amino butyric acid- L ornithine D Lysine
it shows the error as follows
readmol2 warning: non-unique atoms were renamed.
Now processing molecule /scrat ...
attype warning: amide base not supported;
skipped molecule.
Is there is any way to get charmm topology and parameter for
aforesaid molecule .
It would be highly helpful if i get top and par
With thanks and regards
S.Vidhyasankar
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