Dear Gromacs users,
I've been trying to solvate Podophyllotoxin in ethanol. I used chimera and
acpype to create PPT and I got the .itp and .pdb files.
For ethanol I used http://virtualchemistry.org/molecules/64-17-5/index.php .top
and GAFF liquid structure .pdb file.
Since some atomtypes match
On 12/11/12 4:30 PM, Hovakim Grabski wrote:
Dear Gromacs users,
I've been trying to solvate Podophyllotoxin in ethanol. I used chimera and
acpype to create PPT and I got the .itp and .pdb files.
For ethanol I used http://virtualchemistry.org/molecules/64-17-5/index.php .top
and GAFF liquid
2 matches
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