Gavin,
I think it's time for you to read some papers and read the gromacs
manual pull COM section. A few days of reading will make all of this
clear to you.
-- original message --
Hi Chris
Thanks very much for your help. The reason I used pull_init1 = 0 is
because this is the value that is used in the tutorial. Maybe I am
misinterpreting its meaning. In the tutorial it says that you do not
have to specify a value separately for each configuration. I am now
thinking that in my case this does not apply ? Should I set pull_init to
the distance between the molecules at the first configuration?
Many thanks
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