On 2/26/13 11:47 AM, francesco oteri wrote:
Thank you Justin,
I added
rlistlong = 1.4
but still grompp complains:
NOTE 1 [file 02md.mdp]:
For energy conservation with switch/shift potentials, rlist should be 0.1
to 0.3 nm larger than rvdw.
Why doesn't grompp looks for rlistlong value?
There was a problem with an older version of Gromacs (I can't remember which)
where grompp ignored rlistlong. It has no implication for mdrun and is solved
by using the newest version.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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