Re: [gmx-users] atomname2types.n2t explanation

2017-05-23 Thread Justin Lemkul
On 5/23/17 7:06 PM, Marcelo Depólo wrote: Hi Can someone explain what does each column on atomname2types.n2t mean? For gromos53a5 it is: H H0.408 1.008 1 O 0.1 O OA -0.674 15.9994 2 C 0.14 H 0.1 C CH3 0.000 15.0351 C 0.15 C CH0 0.266

[gmx-users] atomname2types.n2t explanation

2017-05-23 Thread Marcelo Depólo
Hi Can someone explain what does each column on atomname2types.n2t mean? For gromos53a5 it is: H H0.408 1.008 1 O 0.1 O OA -0.674 15.9994 2 C 0.14 H 0.1 C CH3 0.000 15.0351 C 0.15 C CH0 0.266 12.0114 C 0.15 C 0.15 C 0.15