[gmx-users] problem with g_density
chris.neale at mail.utoronto.ca
Wed Oct 24 22:38:50 CEST 2012
All versions of g_density suffer from the same problem. It is not precisely a bug, since it works perfectly if you
do constant volume simulations (presuming that trjconv -center works properly, which it does not in any version of
gromacs) or if you properly process your trajectory prior to running g_density.
I have already posted the entire solution online (as you have referenced) and I have already stated that this is
as simple as I can make the solution. Why don't you try that solution and when you run into a specific problem then
please post that to this mailing list. We tried that a bit already but I didn;t hear back from you about remaking the
.tpr file, which is required at some point or you get the error that you previously reported with grompp.
-- original message --
Which version of gromacs has problem related to g_density?(All of them?)
I nearly red all of your email about : problem with density, I did not
understand correct method.
Please, if it is possible, you send me only specified method To be
revealed to me it. In fact i do not exact method for this problem,
Then i try to discover it!
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