Re: mail reg parameters

From: sena (
Date: Fri Dec 25 2015 - 22:29:17 CST

      You can try to use MATCH server (Brooks lab) to generate charmm topology and parmeters.


----- Original Message -----
From: "Vidhya Sankar" <>
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

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