Dear Gromacs users,
I try to use Gromacs at the step:
pdb2gmx -f C:\Soft\Gromacs\Input\formaldehyde.pdb -o outputName.gro -p
outputName.top
pdb2gmx -f C:\Soft\Gromacs\Input\cyanide.pdb -o outputName.gro -p outputName.top
How can I get formaldehyde.itp and cyanide.itp
if I have formaldehyde.pdb and cyanide.pdb?
Thank you in advance.
Alexander
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