[gmx-users] Fatal error: Force field inconsistency

[Roland Faller]

Hi,

I have a forcefield which always tells me
" Fatal error: Force field inconsistency: 1-4 interaction parameters for 
atoms 3-13 not the same as for other atoms with the same atom type"

I already know that I have to make sure that all interactions between 
the same type of atom have to be the same (a limitation which makes life 
anyway unnecessarily complicated ....) but IMHo I did that (see below) 
and the first four set of pairs work, the last four don't

Greetings
Roland

[ atomtypes ]
   COTP     13       0.000       A   0.4874E-02   0.129159E-04
   OOTP     13       0.000       A   0.4874E-02   0.129159E-04
   OTTP     13       0.000       A   0.4874E-02   0.129159E-04
   POTP     13       0.000       A   0.4874E-02   0.129159E-04
   PPTP     13       0.000       A   0.4874E-02   0.129159E-04
   CCTP     12       0.000       A   0.4874E-02   0.129159E-04

[moleculetype]
OTP        9
[ atoms ]
;   nr  type    resnr   residu  atom    cgnr    charge  mass
1       CCTP     1       OTP    OT1     1        0.0  13.000
2       OOTP     1       OTP    OT1     1        0.0  12.000
3       COTP     1       OTP    OT1     1        0.0  12.000
4       POTP     1       OTP    OT1     1        0.0  12.000
5       COTP     1       OTP    OT1     1        0.0  12.000
6       OOTP     1       OTP    OT1     1        0.0  12.000
7       CCTP     1       OTP    OT1     1        0.0  13.000
8       CCTP     1       OTP    OT1     1        0.0  13.000
9       COTP     1       OTP    OT1     1        0.0  12.000
10       COTP     1       OTP    OT1     1        0.0  12.000
11       COTP     1       OTP    OT1     1        0.0  12.000
12       COTP     1       OTP    OT1     1        0.0  12.000
13       CCTP     1       OTP    OT1     1        0.0  13.000
14       OTTP     1       OTP    OT1     1        0.0  12.000
15       COTP     1       OTP    OT1     1        0.0  12.000
16       PPTP     1       OTP    OT1     1        0.0  12.000
17       COTP     1       OTP    OT1     1        0.0  12.000
18       OTTP     1       OTP    OT1     1        0.0  12.000

[pairs]     
 2 14  1  0.0 0.129159E-09
 6 14  1  0.0 0.129159E-09
 2 18  1  0.0 0.129159E-09
 6 18  1  0.0 0.129159E-09
 4 14  1  0.0 0.129159E-01
 4 18  1  0.0 0.129159E-01
 14 4  1  0.0 0.129159E-01
 18 4  1  0.0 0.129159E-01
 2 16  1  0.0 0.129159E-01
 6 16  1  0.0 0.129159E-01


-- 
Roland Faller, Assistant Professor  
Department of Chemical Engineering and Materials Science
University of California Davis 
One Shields Ave                 
Davis, CA 95616, USA           
Tel. ++1-530-752-5839         
Fax ++1-530-752-1031
Email: rfaller at ucdavis.edu
WWW: www.chms.ucdavis.edu/research/web/faller/