On 7/11/12 5:36 AM, Shima Arasteh wrote:
Hi all,
I'm going to do the step 3 in Justin's tutorial (Lysozyme in water) . In this
step, the solvation is accomplished through this command:
genbox -cp 1AKI_newbox.gro -cs spc216.gro -o 1AKI_solv.gro -p topol.top
in which that spc216.gro is used. In first step I had used the TIP3P water
model, here I'd rather to call TIP3P too. But there is not tip3p.gro in
share/top .
I would appreciate you if you give me any suggestion.
http://www.gromacs.org/Documentation/How-tos/TIP3P_coordinate_file
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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