[gmx-users] .top file from .gro file

Justin A. Lemkul jalemkul at vt.edu
Wed Aug 19 01:00:14 CEST 2009

sunny mishra wrote:
> Hi all,
> Is there anyway I can generate the .gro file from .top file without 
> using the command pdb2gmx and editconf?

A .top file is a topology - atomic descriptions; a .gro is a coordinate file. 
They are unrelated and therefore cannot be inter-converted.


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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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