choderalab / ambermini

A stripped-down set of just antechamber, sqm, and tleap.
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How to change sqm.out directory when using antechamber to convert pdb to mol2? #45

Closed mainguyenanhvu closed 1 year ago

mainguyenanhvu commented 1 year ago

Hi,

I want to use antechamber to convert pdb file to mol2 by this command:

antechamber -fi pdb -i $work_path/ligand3.pdb -fo mol2 -o $work_path/ligand4.mol2 -c bcc -pf y

I would like to place sqm.out in the same directory of mol2. In this case, it needs placing in $work_path directory.

I do not know how to do this. Please help me. Thank you very much.

hainm commented 1 year ago

@mainguyenanhvu Please ask the question in mailing list: https://ambermd.org/MailingLists.php

mainguyenanhvu commented 1 year ago

Thank you very much.