[gmx-users] To modify PRODRG-generated .itp file?

Hi all, In addition to modifying atomic charges to the .itp file generated by PRODRG, I also want to change the vdw C12 and C6 parameters of selected 1-4 LJ interactions and modify some 1-5 LJ interactions (or any non-bonded LJ interactions) with the vdw C12 and C6 parameters I prefer. So should

Re: [gmx-users] To modify PRODRG-generated .itp file?

Yun Shi wrote: Hi all, In addition to modifying atomic charges to the .itp file generated by PRODRG, I also want to change the vdw C12 and C6 parameters of selected 1-4 LJ interactions and modify some 1-5 LJ interactions (or any non-bonded LJ interactions) with the vdw C12 and C6