[gmx-developers] rep

Patricia Soto Becerra psoto at chem.ucsb.edu
Fri Apr 29 01:54:26 CEST 2005

Hi gmx-developers,

I am trying to modify the code Berk wrote to do replica exchange in the 
gmx CVS version. I just want to modify a little detail: I want to compare 
all adjacent replicas at each attempt.

I did the modification and it works fine for 2ps (which means that my 
logic is right) but then I get a SIGSEGV(11):  segmentation violation 
(which I think means my programming is wrong).

I think all I have to do is to modify the for cycle (line 253) in 
repl_ex.c... but how? could somebody please help me on that?


~_ Dr. Patricia Soto
~_ Post-doctoral Researcher
~_ Department of Chemistry and Biochemistry
~_ University of California, Santa Barbara CA 93106 - 9510 
~_ United States

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