[gmx-users] cut-off g_hbond
gmelaugh01 at qub.ac.uk
Fri Oct 5 14:15:15 CEST 2012
Is there any need to use the r2 option the ?
Justin Lemkul wrote:
> On 10/5/12 7:39 AM, Gavin Melaugh wrote:
>> Hi Justin
>> Thanks, that's what I thought. Is there a need to define a
>> hydrogen-acceptor distance as well. I read in a few articles that this
>> was the case, usually 0.25nm ?
> One can define hydrogen bonds in a number of ways, but a D-A distance
> of 0.35 nm and an H-A distance of 0.25 nm are basically equivalent,
> given that O-H and N-H bonds are about 0.1 nm.
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