<P>
Dear Justin,<BR>
<BR>
It seems, the given link which was directed to a post where I got contents of ENERGY MINIMISATION FILE ".mdp" in my previous mail is not the right one, so I paste its content here.<BR>
<BR>
<BR>
*******************************************************************<BR>
Geraudis Mustelier gera at ict.cim.sld.cu<BR>
Wed Dec 12 20:00:03 CET 2001<BR>
<BR>
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<BR>
Hi<BR>
<BR>
I would like to refine a model obtained with modeling by homology technique<BR>
from X-ray structures. So, I am treating to do an energy minimization. The<BR>
parameter values in .mdp file are:<BR>
;<BR>
cpp = /lib/cpp<BR>
define = -DPOSRES<BR>
constraints = none<BR>
morse = no<BR>
integrator = steep<BR>
nsteps = 2000<BR>
;<BR>
; Energy minimizing stuff<BR>
emtol = 100<BR>
emstep = 0.00001<BR>
;<BR>
nstcomm = 1<BR>
ns_type = grid<BR>
rlist = 1<BR>
rcoulomb = 1.0<BR>
rvdw = 1.0<BR>
Tcoupl = no<BR>
Pcoupl = no<BR>
gen_vel = no<BR>
<BR>
<BR>
***********************************************<BR>
<BR>
<BR>
regards<BR>
Jestin Mandumpal<BR>
<BR>
</P>
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