Re: [gmx-users] LINCS WARNING max 597108032.000000 (between atoms 366 and 368) ?

Hi, So many posts and replies on a single issue, and still no exact command lines, nor grompp output, nor gromacs version. Lin, please be aware that such errors only make sense in the context of what you did. You'll have to provide all information that might be related to it. I'm pretty sure that

[gmx-users] LINCS WARNING max 597108032.000000 (between atoms 366 and 368) ?

Hi what does the max max 597108032.00 (between atoms 366 and 368) mean? is it the max force or max length of the system? where is the max force listed? max 597108032.00 (between atoms 366 and 368) rms 26394490.00 bonds that rotated more than 30 degrees: what does previous, current

Re: [gmx-users] LINCS WARNING max 597108032.000000 (between atoms 366 and 368) ?

Chih-Ying Lin wrote: Hi what does the max max 597108032.00 (between atoms 366 and 368) mean? is it the max force or max length of the system? where is the max force listed? Don't know. max 597108032.00 (between atoms 366 and 368) rms 26394490.00 bonds that rotated more than 30

Re: [gmx-users] LINCS WARNING max 597108032.000000 (between atoms 366 and 368) ?

Chih-Ying Lin wrote: Hi what does the max max 597108032.00 (between atoms 366 and 368) mean? is it the max force or max length of the system? where is the max force listed? It corresponds to the length between the constrained atoms. Forces are printed to the .trr file if you have