[gmx-users] protein-SWCNT md simulation

[Atila Petrosian]

Dear gromacs users


File forcefield.itp is as follows:


#define _FF_cnt
[ defaults ]
; nbfunc        comb-rule       gen-pairs       fudgeLJ   fudgeQQ
1       2       yes     1.0     1.0

#include "ffcntnonbon.itp"
#include "ffcntbon.itp"