Dear Amber Team Members:
I am using Amber10 to do MD simulation of carbohydrates.
In order to do that I run the following commands
[]$ tleap
> WAT = TP5
> loadAmberParams frcmod.tip5p
> carb = loadpdb carbohy.pdb
> solvateBox carb TIP5PBOX 12.0 0.5
When I run solvateBox command it is given me below suggestion,
but I do not know what should I used for <buffer>.
solvateBox: Argument #2 is type String must be of type: [unit]
usage: solvateBox <solute> <solvent> <buffer> [iso] [closeness]
(leaprc.GLYCAM_06 is already set as a leaprc.)
Thanking You,
Sincerely,
Shubhra
--
Shubhra Gupta
Information Officer,
Department of Bioinformatics & Structural Biology
Indian Institute of Advanced Research
Koba Village
Gandhinagar 382007 Gujarat
Phone: 91-79-30514154
Email: shubhg.iiar.res.in
Home Page: http://www.guptalab.org/shubhg/
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Received on Wed May 20 2009 - 16:26:54 PDT
