Re: [gmx-users] CMAP format on GROMCACS

2020-01-06 Thread Justin Lemkul
On 1/6/20 4:46 PM, Marcelo Depólo wrote: Hi everybody! Happy new year! =) I would like to understand a little bit better the CMAP format of charmm27.ff within GROMACS. I've looked up in the manual but found little information. I understand that it is defined by 5 atoms (1-4 phi and 2-5

[gmx-users] CMAP format on GROMCACS

2020-01-06 Thread Marcelo Depólo
Hi everybody! Happy new year! =) I would like to understand a little bit better the CMAP format of charmm27.ff within GROMACS. I've looked up in the manual but found little information. I understand that it is defined by 5 atoms (1-4 phi and 2-5 psi), a arbitrary identification number (e.g. 1)