[gmx-users] Wpull from pullf.xvg

Bakary N'tji Diallo diallobakary4 at gmail.com
Sat Sep 7 11:14:50 CEST 2019

Dear all,
Hope you are doing very well.

How do I calculate the pulling work (Wpull) (pulling a ligand out from a
protein) from a steered MD with gromacs.

Best regards

Bakary N’tji DIALLO

PhD Student

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