Re: [gmx-users] GTP topology generation in OPLS-AA force field

Bear in mind that parameterising a new molecule is an advanced topic. Maybe an easier solution would be to use another forcefield which already has a GTP topology. For example the amber forcefields I know to have GTP parameters available, all you would have to do is to convert them into GROMACS

Re: [gmx-users] GTP topology generation in OPLS-AA force field

Quoting Shankar Prasad Kanaujia <[EMAIL PROTECTED]>: > Dear gmx-users, > I want to run MD for my protein with GTP compound. > I am using OPLS-AA force field. How can I generate > the topology file for GTP in OPLS-AA force field ? Derive parameters consistent with the methods used to generate the

[gmx-users] GTP topology generation in OPLS-AA force field

Dear gmx-users, I want to run MD for my protein with GTP compound. I am using OPLS-AA force field. How can I generate the topology file for GTP in OPLS-AA force field ? Thanking you all for your kind support and suggestions. --- Yours Sincerely, Shankar Prasad Kanaujia Research Student C/O - Dr.