fairuz zulkifli wrote:
Hello everybody,
I'm Fairuz from Malaysia.
I just want to ask if there is someone that have information about PDB
of ice and itp file of ice.
I only had PDB of the ice and trying to convert it into itp file using
GAMESS software.
You can't. A .pdb file is a coordinate file, while an .itp is a parameter file
(topology). The two are not interchangeable. I presume that you can use the
parameters for water and simulate at a suitable temperature, though.
-Justin
Is there any suggestion?
Thank you.
--
========================================
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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