[gmx-users] water tip3p

[Alan]

Hi List,
I am trying to understand what that means in my md.log.

Enabling SPC water optimization for 216 molecules.

I am playing with water tutorial, and no matter I set the water (I am using
tip3p.itp), I got this message.

My grompp.mdp is:
cpp                      = /usr/bin/cpp
define                   = -DFLEXIBLE
integrator               = steep
nsteps                   = 500
constraints              = none
emtol                    = 1000.0
emstep                   = 0.01
nstcomm                  = 1
ns_type                  = simple
nstlist                  = 0
rlist                    = 0
rcoulomb                 = 0
rvdw                     = 0
Tcoupl                   = no
Pcoupl                   = no
gen_vel                  = no
nstxout                  = 1
pbc                      = no

Many thanks in advance,
Alan

-- 
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.
>>http://www.bio.cam.ac.uk/~awd28<<
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