similarly, why would CA-CB-CG-OD2/1 in ASP be gd_40 instead of gd_34 ? #define gd_34 0.000 5.92 3 ; -CHn,SI-CHn- 1.4 ; ...
#define gd_40 0.000 1.0 6 ; -CHn-C,NR(ring), CR1- 0.24 ; .... Something wrong with my interpretation of the comments after each definition? Thanks, Yun Shi On Wed, Aug 24, 2011 at 3:00 PM, Yun Shi <yunsh...@gmail.com> wrote: > Hi, > > For a H-NL-CH1-CH2 (H1-N-CA-C) dihedral angle in a N-terminal MET, why > would pdb2gmx automatically assign gd_29 ? > > In /gromos53a6.ff/ffbonded.itp, it appears: > > #define gd_29 0.000 3.77 3 > ; -C,CHn,SI- 0.9 > ; > ... > > #define gd_41 0.000 3.77 6 > ; -CHn-NT- 0.9 > ; > ... > > Thanks, > > Yun Shi >
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