Hello all,
Is there a way to read two molecules that are written in the same .mol2
file? I have attached a sample .mol2 file which I am working with. I am
using tleap and amber14. After doing the following commands, I only get the
atoms in the first molecule being present in the prmtop file.
Tleap commands:
1) x = loadMol2 benzDimerSep-new3.MOL2
2) loadAmberParams frcmod.benzDimerSep
3) check x (no errors detected)
4) saveamberparm x prmtop inpcrd
In the attached prmtop file you can see that only the atoms of the first
molecule are present. Is there a away around this?
Best wishes,
Sanmeet
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- application/octet-stream attachment: prmtop
Received on Fri Mar 06 2015 - 17:30:02 PST
