Hi There,
I am usinng gromacs for running MDS of one protein, Can I use the pdb file
only without generating the .gro file i.e. without using pdb2gmx ?
If no, then how can I avoid addition of hydrogen during pdb2gmx ?
With Thanks,
Vivek
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gmx-users
vivek sharma wrote:
Hi There,
I am usinng gromacs for running MDS of one protein, Can I use the pdb
file only without generating the .gro file i.e. without using pdb2gmx ?
Theoretically, yes. Gromacs can read a number of file formats at any stage
(.pdb, .gro, etc).
If no, then how can
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