sapna sarupria wrote:
Hello,
The simulation does not run even for one step and therefore, it is not
possible for me to check any of the components such as energy,
temperature etc. There is no error message except for segmentation
fault. It does the same thing if I try to energy minimize the
sapna sarupria wrote:
-- Forwarded message --
From: *sapna sarupria* [EMAIL PROTECTED]
mailto:[EMAIL PROTECTED]
Date: Tue, Jul 15, 2008 at 9:16 AM
Subject: Using user-tables for simulations in vacuum
To: Discussion list for GROMACS users gmx-users@gromacs.org
Hello,
Thanks David for your response. Actually I have used the same tables for
simulations of the polymer in water and have had no problem with them. Those
simulations run for 4 ns without a problem. So the tables are correct and I
am sure of that. I am not using the CVS version and so I give
sapna sarupria wrote:
Hello,
Thanks David for your response. Actually I have used the same tables for
simulations of the polymer in water and have had no problem with them.
Those simulations run for 4 ns without a problem. So the tables are
correct and I am sure of that. I am not using the
Hello,
The simulation does not run even for one step and therefore, it is not
possible for me to check any of the components such as energy, temperature
etc. There is no error message except for segmentation fault. It does the
same thing if I try to energy minimize the system instead of running
Hello users,
I am trying to do a simulation of a polymer chain (which is simply a bead of
unified methane molecules) in vacuum using user-defined tables. The
interactions are Weeks-Chandler-Andersen instead of Lennard-Jones. However,
when I run the simulations, mdrun gives me a segmentation
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