Re: [gmx-users] Charge Group Number in itp File (cgnr)

On 11/09/2012 7:55 AM, Andrew DeYoung wrote: Hi, In the [ atoms ] section of an .itp file, there is a column (cgnr) where a charge group number is given (an integer). This cgnr column is shown in, for example, the manual version 4.5.4 in Section 5.7. My question is, do the charge group numbers

[gmx-users] Charge Group Number in itp File (cgnr)

Hi, In the [ atoms ] section of an .itp file, there is a column (cgnr) where a charge group number is given (an integer). This cgnr column is shown in, for example, the manual version 4.5.4 in Section 5.7. My question is, do the charge group numbers have to be _consecutive_ integers? For some