ahmet yıldırım wrote:
Dear users,
Gromacs 4.5.3
pdb2gmx -f xxx.pdb -water spc
select Force Field:9
*Fatal error:*
atom C not found in buiding block 13NH2 while combining tdb and rtp
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
How can I fixed this error?
You have a carbon atom in a residue that should only contain NH2. Refer to the
.rtp file for what is expected, then make a suitable structure that conforms to
those requirements.
This has been asked and answered hundreds of times, so please make use of the
mailing list search. You would have gotten your answer in minutes rather than
hours.
-Justin
Thanks in advance
--
Ahmet YILDIRIM
--
========================================
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
========================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
