On 11/15/14 7:24 PM, Alexander Law wrote:
I may have found a bug in the vmx hbond command. In short the cyclic nitrogen
within the indole ring on a tryptophan side chain is behaving as both Hbond
acceptor and donor. The end result of this is a constant Hbond being show in
the output .xvg. Here
I may have found a bug in the vmx hbond command. In short the cyclic nitrogen
within the indole ring on a tryptophan side chain is behaving as both Hbond
acceptor and donor. The end result of this is a constant Hbond being show in
the output .xvg. Here are some of the detail which led me to this
