cpptraj

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Hello, Can i get cumulative radial distribution of solute "CC" directly through cpptraj?

Saqlain5565

Track lipid insertion into membrane protein system

12

Hi @drroe , I’ve simulated an ion channel protein and observed that some lipids enter the protein and remain inside for a period of time. I’d like to track these...

H-EKE

Regarding Minor/Major groove width analysis with base-pair number

9

Hi developers. I hope you are fine. I'm a fourth-year PhD student from IIT Delhi. I've started working on ligand-binding to DNA using in GROMACS software. I've installed the cpptraj...

SoumyaCYZ

CMAP support

1

ff19SB supports (per-amino-acid) CMAPs, but cpptraj doesn't print their energies. It would be nice to have them supported, just like other bonded interactions are. To give credit where it's due,...

vedranmiletic