[gmx-users] Do you need to have the parameters numbered in order?

[Arthur Roberts]

To Whom It May Concern:

Do you need to have the parameters numbered in order?


For example:

[ bonds ]
;  ai    aj funct            c0            c1             
c2            c3
     1     2     2     gb_16  ;   CR6 (CR1)   CR6 (CR1)   
1.41611228368 Angstroms
     1     6     2     gb_16  ;   CR6 (CR1)   CR6 (CR1)   
1.40526545535 Angstroms
     3     4     2     gb_16  ;   CR6 (CR1)   CR6 (CR1)    
1.4138394534 Angstroms
     3    15     2     gb_10  ;   CR6 (CR1)  *NRC  (NR)   
1.36034591189 Angstroms
     4     5     2     gb_16  ;   CR6 (CR1)   CR6 (CR1)   
1.40558244155 Angstroms
     5     6     2     gb_16  ;   CR6 (CR1)   CR6 (CR1)   
1.40420831788 Angstroms
     7     8     2     gb_16  ;    C2 (CR1)    C2 (CR1)    
1.4078362831 Angstroms
     7    23     2      gb_3  ;    C2 (CR1)    H2  (HC)   
1.02469166094 Angstroms
     8    24     2      gb_3  ;    C2 (CR1)    H2  (HC)    
1.0243183099 Angstroms
     2     3     2     gb_16  ;   CR6 (CR1)   CR6 (CR1)   
1.42527962169 Angstroms  <-- Notice this term is out of order.

Your input would be greatly appreciated.

Best wishes,
Art