Re: [gmx-users] Average number of salt bridge

Thank you Justin... that's what I was looking for ... On Tue, Nov 19, 2013 at 2:24 AM, Justin Lemkul wrote: > > > On 11/14/13 10:18 PM, bharat gupta wrote: > >> Hi, >> >> How can I calculate the average number of salt bridges between two >> residues >> during the entire simulation ??... >> >> >

Re: [gmx-users] Average number of salt bridge

On 11/14/13 10:18 PM, bharat gupta wrote: Hi, How can I calculate the average number of salt bridges between two residues during the entire simulation ??... Unless you've got some wildly noncanonical residues, this is a binary function. Either the salt bridge exists (1) or does not (0).

[gmx-users] Average number of salt bridge

Hi, I want to calculate the average number of salt bridge interactions between two residues. I used g_saltbr it gives the details for all the residues. Using g_dist I calculated the distance between the charged group of those two residues, but I want a number for salt-bridges like g_hbond gives ??

[gmx-users] Average number of salt bridge

Hi, How can I calculate the average number of salt bridges between two residues during the entire simulation ??... Thanks --- Bharat -- gromacs.org_gmx-users mailing listgromacs.org_gmx-users@maillist.sys.kth.se https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users * Ple

[gmx-users] Average number of salt bridge

Hi, How can I calculate the average number of salt bridges between two residues during the entire simulation ??... Thanks --- Bharat -- gromacs.org_gmx-users mailing listgromacs.org_gmx-users@maillist.sys.kth.se https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users * Ple