Re: [gmx-users] Conversion of improper angles from amber object file to gromacs

2020-03-24 Thread Justin Lemkul
On 3/24/20 3:26 PM, Daniel Bauer wrote: Hi, I  am trying to convert forcefield parameters of zwitterionic glycine from an amber object file format to gromacs .rtp (to use it with amber99sb, which lacks zwitterionic amino acids). The amber library file I plan to use can be found here: https://

[gmx-users] Conversion of improper angles from amber object file to gromacs

2020-03-24 Thread Daniel Bauer
Hi, I  am trying to convert forcefield parameters of zwitterionic glycine from an amber object file format to gromacs .rtp (to use it with amber99sb, which lacks zwitterionic amino acids). The amber library file I plan to use can be found here: https://personalpages.manchester.ac.uk/staff/Richard