Re: [AMBER] How to solve the unfilled valence problem in antechamber

From: David A Case <>
Date: Mon, 9 Nov 2015 08:15:53 -0500

On Mon, Nov 09, 2015, 张敏华 wrote:

> I encountered an unfilled valence warning when I trying using
> antechamber to generate an prmtop file for folate. The antechamber
> give me an waring that "Warning: ATOM N6 has unfilled valence..."

This generally indicates that there is something wrong with the input
structure. Do you have all the hydrogens explicitly in the input PDB file?
If you look at the structure, do you think that N6 has the proper number of
bonds (3)?


AMBER mailing list
Received on Mon Nov 09 2015 - 05:30:06 PST
Custom Search