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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