From: Adam Fraser (adam.n.fraser_at_gmail.com)
Date: Mon Aug 20 2007 - 11:23:58 CDT
I was wondering if there is a way to specify a solvation density of
1.0(rather than
0.93) using vmd.
This is the script I'm currently using in vmd:
resetpsf
readpsf 2HEX.psf
coordpdb 2HEX.pdb
resetpsf
package require solvate 1.2
solvate 2HEX.psf 2HEX.pdb -o 2HEX_solv2 -s WT -b 2.4 -minmax { {-7.5 -12.5 -
12.5} {47.5 12.5 12.5} }
Any help or suggestions would be great. Thanks,
Adam
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:45:07 CST