Subject: H-bond analysis of MD

From: Tom Connor Bishop <[email-masked]>
Date: Tue, 14 Mar 95 14:58:19 -0600

dear netters,

I am looking for a program which takes an x-plor format 

molecular dynamics trajectory file (a DCD file), determines
the hydrogen bonds and formats the output in a suitable fashion
for reporting.
(This information can be extracted from x-plor but it's no simple matter
to accumulate the data in a reportable format, as far as I know)

The system we wish to analyze contains DNA and excess water and we would like
to analyze only the h-bonding of the water to the DNA, and not DNA-DNA h-bonds  
or water-water hbonds.

Any suggestions would be very much appreciated.

Thanks
tom bishop
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