AMBER Archive (2006)

Subject: AMBER: FW: antechamber:tutorial

From: Lwin, ThuZar (ThuZar.Lwin_at_stjude.org)
Date: Thu Nov 09 2006 - 13:03:46 CST

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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