[gmx-users] Error 'Atomtype NTL not found'
joe781114 at gmail.com
Fri May 15 22:16:00 CEST 2015
Actually, I had google for this error message, but I can't understand the
answer clearly, and it seems the previous question didn't finish yet.
I want to run a MD simulation with amber force field for a membrane protein.
And the simulation box contains my goal membrane protein, POPC lipid and
water, later will add ions.
I choose the force field: amber99sb-ildn, and download the POPC.itp file
from this website:
In my top file, which will use in later grompp command.
Top file as below:
; Include forcefield parameters
; Include chain topologies
; Include water topology
; Include topology for ions
After I type grompp command, it shows the error 'Atomtype NTL not found.'
I found that the NTL atom-type showed in POPC.itp file.
Can anybody help me to fix this problem? Or I should modify this itp file?
Also, if you can't understand my question, please tell me and I will
explain it clearly. Because it is important to me.
生醫光電研究所/Institute of Biophotonics
生物醫學工程學院/School of Biomedical Science and Engineering
國立陽明大學/National Yang-Ming University
台灣台北市立農街155號2段/155, Sec. 2, Li-Nong St. Taipei, Taiwan
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