subject:"\[gmx\-users\] calculating LJ"

Re: [gmx-users] calculating LJ

2013-03-27 Thread Justin Lemkul

On 3/27/13 2:15 AM, 라지브간디 wrote: 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 gro

[gmx-users] calculating LJ

2013-03-26 Thread 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. Tha