Re: [gmx-users] Generating GROMACS input file from the GAMESS output file

On 7/10/17 2:32 AM, 조영래 wrote: Thank you Justin Every time your comment helped me. I should compare two system that are Zn_binding protein and Fe_binding protein. So I need force field that satisfies the following conditions. First, force field contains two metal ion (Fe and Zn)information.

Re: [gmx-users] Generating GROMACS input file from the GAMESS output file

Thank you Justin Every time your comment helped me. I should compare two system that are Zn_binding protein and Fe_binding protein. So I need force field that satisfies the following conditions. First, force field contains two metal ion (Fe and Zn)information. Second, force field contain metal

Re: [gmx-users] Generating GROMACS input file from the GAMESS output file

On 7/6/17 10:45 PM, 조영래 wrote: Hi gmx users~ I would like to generate *.gro *itp file about one atom for MD simulation. So I calculated Fe metal atom using GAMESS program. -- FE.inp FE.dat FE.log -- How do I make

[gmx-users] Generating GROMACS input file from the GAMESS output file

Hi gmx users~ I would like to generate *.gro *itp file about one atom for MD simulation. So I calculated Fe metal atom using GAMESS program. -- FE.inp FE.dat FE.log -- How do I make GAMESS result file (.log) into AMBER