From: Diego Alejandro Vargas (vardiego9_at_gmail.com)
Date: Thu Nov 20 2008 - 23:15:58 CST
I got the *Error: pairlist i_upper mismatch* and the *Warning: Not all atoms
have unique coordinates* for an equilibration simulation in the first step.
>From a previous discussion in the mailing list I think the problem is atoms
with the same coordinate in my restart.coor file. Everything looks fine in
VMD, so I used VMD to make a pdb file of the restart.coor file.
I just thought I would ask if anybody had any suggestions on how to check
for non-unique coordinates? I thought about writing a C programm, I'm
wondering if anybody has any readily available or in tcl script. Or how have
you done this in the past?
Diego A. Vargas
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