rasoul nasiri wrote:
Dear All,
Hello
I understand one can adjust distance of between solvent molecules by
genbox command and -vdwd but I don't know, how do it between the
solutes?
If you want to place several identical solutes with genbox -ci, then you
could copy the file vdwradii.dat to the present directory and largely
increase the respective vdw radii in that file (e.g. the carbon radii)
before running genbox.
Best,
Jochen
Thanks for helping!
Rasoul
--
---------------------------------------------------
Dr. Jochen Hub
Molecular Biophysics group
Dept. of Cell & Molecular Biology
Uppsala University. Box 596, 75124 Uppsala, Sweden.
Phone: +46-18-4714451 Fax: +46-18-511755
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