[gmx-users] Calculate Density with respect to time...

rama david ramadavidgroup at gmail.com
Sat Sep 29 14:27:59 CEST 2012

Hi Gromacs Users,

                   I did simulation of two random coil peptides for 100ns.
 after 70 ns these peptide get converted to anti parallel beta sheet
 I am interested to see the water density in between these peptides w.r.t.
to time change
 And at the same time the distance between the peptide..

I found out the distance between peptide by g_mindist
 but I not found the appropriate way to calculate density of water with
respect to time
between two peptides..

I used g_density but it not gave me the information as per my need.

Is there any way to solve these problem.

Thank you in advance..

With best wishes and regards..

Rama David

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