Dear list,
I need to model disulfide exchange reactions in an efficient way. A
literature search turned up the AIREBO formalism postulated by Brenner
at al[1]. I would like to implement this in Gromacs 5.1 as a non-bonded
functional form which has an angle dependence. So, my questions:
1) Has
Dear list,
I need to model disulfide exchange reactions in an efficient way. A
literature search turned up the AIREBO formalism postulated by Brenner
at al[1]. I would like to implement this in Gromacs 5.1 as a non-bonded
functional form which has an angle dependence. So, my questions:
1) Has