[gmx-users] Water models for amber03

[Jack Shultz]

Hi all,

I think I'm having a problem with the water models. Clearly ther are
differences in these tip3p models. I can rename the ffamber_tip3p
files to overwrite existing tip3p files. I don't want to do that
because I want the option of choosing the amber ones at run-time.
pdb2gmx does not accept a request for
-water ffamber_tip3p or -water amber_tip3p

Are these the only options I can use?
-water 	 enum 	 spc 	 Water model to use: with GROMOS we recommend
SPC, with OPLS, TIP4P: spc, spce, tip3p, tip4p, tip5p or f3c

$ ls -l *tip3* *spc*
-rwx------+ 1 jshultz None   1377 Mar 17 11:22 Copy of tip3p.itp
-rwx------+ 1 jshultz None 106028 Feb 27 18:46 ffamber_tip3p.gro
-rwx------+ 1 jshultz None    638 Feb 27 18:46 ffamber_tip3p.itp
-rwx------+ 1 jshultz None    638 Feb 27 18:46 ffamber_tip3p_heavy.itp
-rwx------+ 1 jshultz None     36 Mar 17 11:21 flexspc.itp
-rwx------+ 1 jshultz None     37 Mar 17 11:22 flexspce.itp
-rwx------+ 1 jshultz None   1402 Mar 17 11:22 spc.itp
-rwx------+ 1 jshultz None  29266 Mar 24 07:40 spc216.gro
-rwx------+ 1 jshultz None   1142 Mar 17 11:22 spce.itp
-rwx------+ 1 jshultz None 106028 Feb 27 18:46 tip3p.gro
-rwx------+ 1 jshultz None   1377 Mar 24 07:40 tip3p.itp

-- 
Jack

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