Hello, I'm trying to figure out how I can merge the ligand and receptor files. I used this script to prep a ligand I treated with GAFF
perl amb2gmx.pl --prmtop test1.prmtop --crd test1.inpcrd --outname ligand This results in ligand.top & ligand.gro Then I prepped a receptor pdb2gmx_d -f fzd2.pdb -ff amber03 -o conf.pdb Is there some way to merge these structures and then simulate with gromacs? -- Jack http://drugdiscoveryathome.com http://hydrogenathome.org
ligand.top
Description: Binary data
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