nishap.pa...@utoronto.ca wrote:
Near the end, the values are fluctuating around one. The reason I was
That would seem right to me.
trying to get density values was may be to try an understand if the
density computed by gromacs is different for just water system and
water+one methane sys
I am trying to get an rdf graph actually, and my values are very close
to one, but not exactly one, and I was wondering if there is some
normalization issue with g_rdf? These are my values for rdf:
0 0
0.002 0
0.004 0
0.006 0
0.008
g_energy
Catch ya,
Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.war...@pharm.monash.edu.au
+61 3 9903 9167
-
When the only tool you own is a hamm
Justin A. Lemkul wrote:
nishap.pa...@utoronto.ca wrote:
Hello,
I am simulating one methane molecule in 899 water molecues in the
box size of 3 3 3 nm (27nm^3). I would like to determine density vs
time. Is there a way I can do that? I am running my simulation at
constant Volume i.e.
nishap.pa...@utoronto.ca wrote:
Hello,
I am simulating one methane molecule in 899 water molecues in the
box size of 3 3 3 nm (27nm^3). I would like to determine density vs
time. Is there a way I can do that? I am running my simulation at
constant Volume i.e. no pressure coupling. I tri
5 matches
Mail list logo
