[gmx-users] TIP5p
Raghunadha Reddy Burri
burri at heineken.chemie.uni-dortmund.de
Wed Dec 10 12:24:01 CET 2003
Dear GMX users,
I have small question,
at present I am runing my peptide in SPC216 water,
(ex: genbox -cp pep.gro -cs spc216.gro -o pep_b4em.gro -p pep.top)
I want replace with TIP5p water, in my server ( /usr/local/software/
gromacs-3.1.4/top) I have
tip3pgmx.itp
tip4pgmx.itp
spc.itp
spc216.gro
and etc..
And I was downloaded tip5p.itp from one of david mail in gmx-users Archives,
But I am lack of next step,
please give me some suggestions to use TIP5p water in place SPC water.
looking for positive reply,
Thank you for time and consideration
Bye
Raghu Burri
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