[gmx-users] Number of Contacts

[Dallas Warren]

First thing you should do when asking for help, is specify exactly
what you have have done (that includes the command line and output),
and then why it is "wrong result".
Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail.


On 28 June 2017 at 01:27, Sundari chaudhary <sundi6170 at gmail.com> wrote:
> Dear all,
>
> I want to calculate the number of inter-peptide and intra-peptide
> side-chain–side-chain contacts and the criteria to form a contact is that:
> the distance between the centers of mass of two residues is less than a
> specified distance. I tried gmx mindist and gmx distance command lines but
> i got wrong results.
>
> Please suggest me right command line to do this analysis.
>
>
> Thank you!
>
> Sundari
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