[AMBER] Reading two units from same .mol2 file

From: Sanmeet Chahal <schah063.uottawa.ca>
Date: Fri, 6 Mar 2015 20:16:10 -0500

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,

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Received on Fri Mar 06 2015 - 17:30:02 PST
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