Jack Shultz wrote:
Hi,
What are some of the ways used to fix these problems? Do you manually
manipulate these files to add missing residues or are there any
automated methods? I tried ignoring it with -missing, which is
probably a bad way to treat this error. Still that did not ignore the
error. Does this require a custom script for adding atoms?
Atom CG not found in residue ARG94 while adding hydrogens
These atoms have to be modeled in with external software, like DeepView or
Modeller.
-Justin
--
========================================
Justin A. Lemkul
Graduate Research Assistant
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
========================================
_______________________________________________
gmx-users mailing list [email protected]
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
