[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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