I'm reposting my difficulty as I haven't heard anything. I could use
any help. Thanks.
I'm trying to run the Antechamber "Simple Example" from p. 81 of the
Amber manual using the supplied tp.pdb file. I'm using Amber 8 on a
Mac dual processor G5. I did the basic antechamber command to make the
tp,mol2 file and then checked the file with parmchk. When I opened the
file tp.mol2, it was identical to the one listed in the manual BUT the
frcmod is NOTHING like the file that is given in the manual. Any idea
what went wrong? Any help would be greatly appreciated.
This is what the frcmod looks like:
remark goes here
MASS
-2.0710 0.000 0.000 ATTN, need revision
-0.6460 0.000 0.000 ATTN, need revision
-1.4720 0.000 0.000 ATTN, need revision
-0.7590 0.000 0.000 ATTN, need revision
-1.5580 0.000 0.000 ATTN, need revision
-2.7820 0.000 0.000 ATTN, need revision
-3.5410 0.000 0.000 ATTN, need revision
-0.7870 0.000 0.000 ATTN, need revision
0.3730 0.000 0.000 ATTN, need revision
-0.0920 0.000 0.000 ATTN, need revision
-2.3790 0.000 0.000 ATTN, need revision
2 0.000 0.000 ATTN, need revision
3 0.000 0.000 ATTN, need revision
13 0.000 0.000 ATTN, need revision
4 0.000 0.000 ATTN, need revision
10 0.000 0.000 ATTN, need revision
5 0.000 0.000 ATTN, need revision
8 0.000 0.000 ATTN, need revision
6 0.000 0.000 ATTN, need revision
11 0.000 0.000 ATTN, need revision
7 0.000 0.000 ATTN, need revision
12 0.000 0.000 ATTN, need revision
9 0.000 0.000 ATTN, need revision
1 0.000 0.000 ATTN, need revision
BOND
ANGLE
DIHE
IMPROPER
NONBON
-2.0710 0.0000 0.0000 ATTN, need revision
-0.6460 0.0000 0.0000 ATTN, need revision
-1.4720 0.0000 0.0000 ATTN, need revision
-0.7590 0.0000 0.0000 ATTN, need revision
-1.5580 0.0000 0.0000 ATTN, need revision
-2.7820 0.0000 0.0000 ATTN, need revision
-3.5410 0.0000 0.0000 ATTN, need revision
-0.7870 0.0000 0.0000 ATTN, need revision
0.3730 0.0000 0.0000 ATTN, need revision
-0.0920 0.0000 0.0000 ATTN, need revision
-2.3790 0.0000 0.0000 ATTN, need revision
2 0.0000 0.0000 ATTN, need revision
3 0.0000 0.0000 ATTN, need revision
13 0.0000 0.0000 ATTN, need revision
4 0.0000 0.0000 ATTN, need revision
10 0.0000 0.0000 ATTN, need revision
5 0.0000 0.0000 ATTN, need revision
8 0.0000 0.0000 ATTN, need revision
6 0.0000 0.0000 ATTN, need revision
11 0.0000 0.0000 ATTN, need revision
7 0.0000 0.0000 ATTN, need revision
12 0.0000 0.0000 ATTN, need revision
9 0.0000 0.0000 ATTN, need revision
1 0.0000 0.0000 ATTN, need revision
-----------------------------------------------------------------------
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Nov 23 2004 - 18:53:01 PST
