[gmx-users] About Topology construction for CNT wrapped by Cyclic peptide

vidhya sankar scvsankar_agr at yahoo.com
Wed Apr 10 14:56:01 CEST 2013


Dear  Justin , Thank you for your reply,
                                                                    I need to construct  Topology For Carbon Nano tubes (CNT) in  gromoff53a5.ff . 

For that  When i run the Following Command 

 ./g_x2top_d   -f CNT.gro   -o CNT.top  -r CNT.rtp 

I have got Error as follows
Can not find forcefield for atom N-325 with 0 bonds
Can not find forcefield for atom CA-326 with 2 bonds
Can not find forcefield for atom CB-327 with 2 bonds
Can not find forcefield for atom CG-328 with 2 bonds
Can not find forcefield for atom C-330 with 2 bonds
Can not find forcefield for atom O-331 with 1 bonds
Can not find forcefield for atom N-332 with 0 bonds
Can not find forcefield for atom C-836 with 3 bonds
Can not find forcefield for atom C-837 with 3 bonds
Can not find forcefield for atom C-838 with 2 bonds
Can not find forcefield for atom C-839 with 2 bonds
Can not find forcefield for atom C-840 with 3 bonds
Can not find forcefield for atom C-841 with 3 bonds
Can not find forcefield for atom C-842 with 2 bonds
Can not find forcefield for atom C-843 with 2 bonds

Could only find a forcefield type for 321 out of 843 atoms


How to solve it ?
Thanks in Advance



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