jianmu
/
lammps
forked from lijiext/lammps
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
lammps/examples/peptide
History
athomps ffb6bd7271 Update fix nvt examples 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3978 f3b2605a-c512-4ea7-a41b-209d697bcdaa
 		2010-04-09 22:12:15 +00:00
..
README git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@390 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2007-03-09 15:45:08 +00:00
data.peptide git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@23 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2006-09-27 19:50:55 +00:00
in.peptide Update fix nvt examples 2010-04-09 22:12:15 +00:00
log.peptide.15Jan10.linux.1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3691 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-01-14 23:33:28 +00:00
log.peptide.15Jan10.linux.4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3691 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2010-01-14 23:33:28 +00:00

README 

If you get bogus, large energies on timestep 0 when you run this
example in.peptide, you likely have a machine/compiler problem with
the pair_style "long" potentials which use Coulombic tabling by
default.

See the "Additional build tips" sub-section of the manual in
Section_start.html in the "Making LAMMPS" section for details and
suggestions on how to work around this issue.