swati shah wrote:
Hello Gromacs Users,
If I don't have PDB file of any peptide then how can I start the
simulation in Gromacs? Does Gromacs has any other way to convert peptide
into Gromacs file(.gro file) ?
Strictly speaking, a .gro file is not required; almost any coordinate file
format will do:
http://www.gromacs.org/Documentation/File_Formats/Coordinate_File#On_the_need_for_a_.gro_file
If you don't have any coordinate file whatsoever of your peptide, then you'll
have to construct it:
http://www.gromacs.org/Documentation/File_Formats/Coordinate_File#Sources
-Justin
Please help me out.
-Swati
--
========================================
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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