[gmx-users] how to create tpr file from pdb created with Hyperhem for using with OPLS

Dear Gromacs developers, I have some very simple questions on how to get the file (tpr) wich could be run on Gromacs (MD). With Hyperhem I have drawn the target molecule, I obtained ent file containing ATOM and CONNECT sections: 1) What should I change in this ent file to be able to run this

Re: [gmx-users] how to create tpr file from pdb created with Hyperhem for using with OPLS

Egidijus Kuprusevicius wrote: Dear Gromacs developers, I have some very simple questions on how to get the file (tpr) wich could be run on Gromacs (MD). With Hyperhem I have drawn the target molecule, I obtained ent file containing ATOM and CONNECT sections: 1) What should I change in this ent