[gmx-users] Grompp error : Incorrect number of parameters
RAHUL SURESH
drrahulsuresh at gmail.com
Tue Dec 19 17:14:25 CET 2017
Dear all
For grompp em.mdp I get an error
ERROR 1 [file THC.itp, line 89]:
Incorrect number of parameters - found 2, expected 4 or 8 for U-B.
My itp file as follows
[ angles ]
1 2 29 5 79.178 109.588 *{Line 89}*
1 2 3 5 32.192 112.817
2 3 31 5 51.424 109.189
>From the manual chapter 5, function of U-B is 5. And it works fine for
function type 2 and 8.
Any thing better could be done?
*PS: The itp file is constructed from parameter file of ffTK.*
Thank you
--
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*
*India*
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