[gmx-users] problem regarding "mdrun" and "g_hbond"

sangeeta kundu sangeeta0983 at yahoo.co.in
Thu Mar 15 08:29:17 CET 2007

Dear all,
        I gave a simulation run of a protein using G43a1force field at 523K using Berendson's  Temperature  coupling for 10 ns, But three times it failed with the messege "segmentation fault" , without giving any other error messege. Previously I ran the simualtion of the same protein at lower temperature, (upto 473K) , and in all cases it ran successfully, but when I used the temperature of 523 K it failed, I can not debug, please help.
       I have another question, Is there any way of analysing hydrogen bonds on a residue basis? I mean to say how can  I get the distribution of HBond over residue number, I  looked at g_hbond , but I could not get it.

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