[gmx-users] wrong number of control atoms (3 iso 4) on line

[Justin A. Lemkul]

nitu sharma wrote:
> Dear all,
> 
>                          I am trying to do simulation of DNA-protein 
> complex . For this purpose I am using " ffoplsaano force field"  which 
> is already charged with  ffamber force field  which I have got  from
> golovin_at_genebee.msu.su <http://golovin_at_genebee.msu.su> website . I 
> am using this force field with pdb2gmx command but  I am getting error 
> like this -
> 
> Error in hdb file ffoplsaano.hdb:
> Wrong number of control atoms (3 iso 4) on line:
> 1       5  H4*     C4*     O4*     C5*   
> 
> Can anyone suggest me how can I solve this problem?
> 

Read the manual - section 5.6.2.  The .hdb file you are using is improperly 
formatted.  You have 3 "instead of (iso) 4" atoms that are the reference for 
adding the hydrogen.

-Justin

> Thank you very much in advance.
> 
> Nitu sharma
> 
> 
> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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