Also see
http://wiki.gromacs.org/index.php/Thermostats
As you do not want to temperature couple the sodium ions independently
Tom
--On Tuesday, September 11, 2007 18:14:43 +1000 Mark Abraham
<[EMAIL PROTECTED]> wrote:
amri ta wrote:
Dear colleagues,
I am simulating a phosphorylated protein embedded in waterbox.
When I try running mdrun, I get a LINCS warning.
Does this mean that I have go back to the CG-EM step and use the double
precision libs?
These should help.
http://wiki.gromacs.org/index.php/Errors#LINCS_warnings
http://wiki.gromacs.org/index.php/blowing_up
http://wiki.gromacs.org/index.php/Steps_to_Perform_a_Simulation
Mark
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----------------------
TJ Piggot
[EMAIL PROTECTED]
University of Bristol, UK.
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