[gmx-users] Atomtype 1

xi zhao zhaoxiitc2002 at yahoo.com.cn
Sun Jun 3 14:24:05 CEST 2012


Dear gmx-users:
  I add a new residue in *rtp ,according to 
http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field, and modified corresponding files :such as atp, hdb , after making a full copy of the installed forcefield in woring diectory.
When pdb2gmx_d 
 
appeared "
 
All occupancies are one
Opening force field file ./amber99sbr.ff/atomtypes.atp
Atomtype 1"
 
Please give me suggestions
 
Thank you!
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