xianghong qi wrote:
Thanks, so how to edit a residue name ? I am confused. sorry about
such simple question.
Use a text editor. Be sure to keep the formatting right when doing so:
http://www.wwpdb.org/documentation/format32/sect9.html
-Justin
-Xianghong Qi
On Tue, Oct 21, 2008 at 9:01 PM, Mark Abraham <[EMAIL PROTECTED]
<mailto:[EMAIL PROTECTED]>> wrote:
xianghong qi wrote:
Hello, everyone,
I want to create a pdb file for methane pair . I can make
methane pair from MOE and then save to pdb file format without
any residue name there.
The question is that I can't convert pdb file to .gro file from
gromacs without residue name. Anyone has any idea about this
question. I appreciate
your help.
You don't need a .gro file for itself.. see
http://wiki.gromacs.org/index.php/Coordinate_File#On_the_need_for_a_.gro_file
You'll need a residue name to get a topology defined, so edit one in.
Mark
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
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