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

2007-07-31 Thread Arthur Roberts 

To Whom It May Concern:

Do you need to have the parameters numbered in order?


For example:

[ bonds ]
;  aiaj functc0c1 
c2c3
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
315 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
723 2  gb_3  ;C2 (CR1)H2  (HC)   
1.02469166094 Angstroms
824 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
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Re: [gmx-users] Do you need to have the parameters numbered in order?

2007-07-31 Thread Mark Abraham 

Arthur Roberts wrote:

To Whom It May Concern:

Do you need to have the parameters numbered in order?


No. Reading chapter five would tell you this.

Mark
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