On 7/05/2012 5:50 AM, Marcelo Lopez wrote:
For sure, this wouldn't happened if the information to run all the
Gromacs features were clearly explained in the place where should be:
the manual.
Life would be good if everything was perfect, but when you're relying on
free software provided by largely volunteer effort, you have to accept
some imperfections.
Next time save some words and use your time to do a better
documentation job... unless you're trying to have some advantage...
You started these requests by asserting that no documentation existed.
So various people who might have helped you were probably annoyed and
decided not to give time to you. However, you got pointed to a likely
source of information. You seem to have ignored that. Eventually I got
bored of ignoring your repeated requests and pointed you in the right
direction again. Others have made worthwhile suggestions, but as far as
we know you're ignoring them, too. Your frustration with solving your
problem is understandable, but your assumption that you are entitled to
perfect free software and to abuse those who help produce it is not
understandable.
Mark
Cheers!
2012/5/5 Mark Abraham<mark.abra...@anu.edu.au>:
On 5/05/2012 11:39 PM, Marcelo Lopez wrote:
Hi, all, I'm still confused about how to set up 1-4 interaction tables
for tabulated non-bonding potentials when using the -tablep option in
mdrun.
The specific question is:
How must I specify the 1-4 interaction in those tables? How many
columns and with what?
I suggested places to look for this information in answer to this question
more than a week ago.
http://lists.gromacs.org/pipermail/gmx-users/2012-April/070856.html Your
reply addressed only another part of the discussion. Why are you asking the
same question again without appearing to have used the help you've been
given?
My primary goal is to set all the 1-4 interactions equal to zero. I
have some 1-4 pairs that aren't involved in dihedrals, that means that
setting up
nrexcl = 3
and
gen-pairs = no
isn't enough
In what sense? I suggested in that thread that you look at the contents of
the .log files to see if any Coulomb 1-4 interactions exist, but you've not
replied. Bald assertions that something doesn't work are likely to get
people who might help to assume that the most likely explanation is that
you're doing something wrong.
Mark
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