Please disregard my previous message. I realized that the reason I got
the error was because I had not loaded in the amber force field yet.
Thanks,
tz
________________________________
Hi everyone,
I am following the antechamber tutorial and I am using amber9.
I have created "sustiva.frcmod sustiva.prepin" according to the
tutorial and loaded them in xleap. When I tried to solvate the molecule
using the command "solvateOct SUS TIP3PBOX 10" I got the following
message. Why is it complaining like that?
Loading parameters: /home/tlwin/local/amber9/dat/leap/parm/gaff.dat
Reading title:
AMBER General Force Field for organic mol., add. info. at the end (June,
2003)
Loading parameters: ./sustiva.frcmod
Reading force field modification type file (frcmod)
Reading title:
remark goes here
Loading Prep file: ./sustiva.prepin
solvateOct: Argument #1 is type String must be of type: [unit]
usage: solvateOct <solute> <solvent> <buffer> [aniso] [closeness]
Thank you in advance,
ThuZar
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Received on Sun Nov 12 2006 - 06:07:24 PST
