GROMACS version:2021
GROMACS modification: Yes/No
Hello everyone,
I kindly request your assistance in obtaining the CHARMM (or any other force field) parameters for boron nitride nanotubes (BNNTs). Would you please help me?
Best regards,
Ganj
Hi, yes.
you can modified charmm36.ff parameter for BNNT. please edit bonded and nonbonded parameter from papers.
if you have problem with this work, please email to me