Re: [gmx-users] gromos function type assigned by grompp

Oh!! thanks!!... gromos, gromacs... that little x escaped my attention :) That should solve all my doubts, thanks a lot!! Romelia > > > Romelia Salomon wrote: >> Ok, for my ligand I was using the Dundee PRODRG Server and the file >> produced reads like this for exam

Re: [gmx-users] gromos function type assigned by grompp

that be a bug from the website? Thanks about your comments on what to keep in mind when using this program, it'll save me some problems :) Cheers, Romelia > Quoting "Justin A. Lemkul" <[EMAIL PROTECTED]>: > >> Quoting Romelia Salomon <[EMAIL PROTECTED]>: >

Re: [gmx-users] gromos function type assigned by grompp

monic form for both, right? Thanks a lot for your time!!! Romelia > > > Romelia Salomon wrote: >> Hi >> >> I am trying to set a calculation based on the GROMOS force field in a >> program I have and I am using GROMACS to generate the (starting) input >>

[gmx-users] gromos function type assigned by grompp

.itp files for bonding interactions in gmxbon.itp have declared a type 1 function which would be the regular harmonic one. Sorry for the very basic questions, but I wanted to be certain about this things, thanks!! Romelia Thanks! -- Romelia Salomon Miller