[gmx-users] virtual sites for ligands?

Carlos Navarro carlos.navarro87 at gmail.com
Fri Jul 12 19:21:38 CEST 2019


Dear gmx-users,
Is there a way to create a vsite-H topology of a ligand using gromacs
(pdb2gmx)?
Best regards,
Carlos

——————
Carlos Navarro Retamal
Bioinformatic Engineering. PhD.
Postdoctoral Researcher in Center of Bioinformatics and Molecular
Simulations
Universidad de Talca
Av. Lircay S/N, Talca, Chile
E: carlos.navarro87 at gmail.com or cnavarro at utalca.cl


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