subject:"\[gmx\-users\] custom topology questions"

Re: [gmx-users] custom topology questions

2018-05-01 Thread Justin Lemkul

On 5/1/18 5:40 PM, Eric Smoll wrote: Hello Gromacs Users, I have a few custom topology questions. Input on any of these questions would be greatly appreciated. 1.) What gromacs tools use the information in atomtypes.atp? pdb2gmx only 2.) Table 5.4 claims the atomtypes directive consists

[gmx-users] custom topology questions

2018-05-01 Thread Eric Smoll

Hello Gromacs Users, I have a few custom topology questions. Input on any of these questions would be greatly appreciated. 1.) What gromacs tools use the information in atomtypes.atp? 2.) Table 5.4 claims the atomtypes directive consists of lines with the format: atom-type, mass, charge,