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
--
========================================
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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