Re: [gmx-users] Missing atom in residue

2009-03-30 Thread Justin A. Lemkul 



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


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[gmx-users] Missing atom in residue

2009-03-30 Thread Jack Shultz 
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

-- 
Jack

http://www.facebook.com/home.php#/profile.php?id=832713248
http://hydrogenathome.org
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