[gmx-users] Some basics
aswin_nuts at hotmail.com
Sun Jun 15 15:50:02 CEST 2003
Dear gmx -users,
I have, so far sent a few mails to the group. I am a newbie to gromacs and
am learning it by practice. Now I have come to a situation in which I need
to know a bit of theory as well. I want to know about the different
algorithms that are being used in gromacs. I just know the names, as I saw
in the manual. But then I should know what these algorithms actually do, in
simple terms. I also want to know about constraints. What exactly are they
and how do I use them in my simulations? I also would like to know the
basics of temperature and pressure coupling. The material given in the
manual goes really over my head.
If sombody could direct me to resources on these topics, I will be very
Attention NRIs! Send money home in a jiffy.
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