[gmx-users] Cytochrom C

[Justin A. Lemkul]

Dariush Mohammadyani wrote:
> According your help and "pdb2gmx -his -missing" I could create input 
> files. Also I used grompp without error. However, for mdrun I got this 
> error:  
> 

Using the -missing flag is very dangerous.  If you're using it to override 
warnings or errors that pdb2gmx is giving, your simulations will almost 
certainly be junk because the topology is broken.

> *Function type CMAP Dih. not implemented in ip_pert*
> 
> How can I figure it out?
> 

Without seeing your .mdp file and knowing which Gromacs version you're using, 
there's little anyone can do to help you.  The error suggests you're trying to 
transform a CMAP dihedral using the free energy code, which cannot be done (per 
the error message).

-Justin

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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