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. regards Sangeeta
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