[gmx-users] calculating LJ

[라지브간디]

Hello gmx,


I have LJ parameter value of C (epsilon = 0.0262 kcal/mol,   sigma = 3.83) O (epsilon = 0.1591. sigma = 3.12) in charmm format and wants to use them in gromos43a1 or charmm27 force field in gromacs. 


Could you tell me how do i convert them to gromacs format? Any examples plz.


Thanks in advance.