Hi
I am just a begginer with MMPBSA aplication
I would like to know how long it should by (more or less)
the production dynamics phase for a system
Protein-Ligand (252 RES)
and which parameter I should modify in this input
Thank you so much for your help
---------
Dynamics
&cntrl
imin=0, irest=1, ntx=7,
ntpr=1000,
ntc=2, ntf=2, dt=0.002, tol=0.000001,
cut = 10.0,
ntb=1,
nstlim=250000,
ntt=1, tautp=2.0, temp0=300.0, tempi=300.0,
ntp=0,
ntwv=1000, ntwe=1000, ntwx=1000,ntwr=1000,
ntr=0,ibelly=0,
&end
-------------
Fernando Blanco
Postdoctoral Researcher
*Molecular Design Group (MDG)*
*School of Biochemistry and Immunology*
*Biomedical Science Institute*
*Trinity College Dublin*
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Received on Sat Nov 12 2011 - 11:30:03 PST
