Alif M Latif wrote:
Hello,
I have a suggestion, why don't you try building your HOME-MADE molecules
using PRODRG webserver, it is specially for protein-related molecules,
but such structure like those involving hydrocarbon chains can be made
by this webserver. This server provide topologies for GROMACS.
A good idea, just keep in mind the usual caveats - the charges and charge groups
assigned by PRODRG often require refinement.
-Justin
Good luck with your research!
Muhammad Alif Mohammad Latif
Department of Chemistry
Faculty of Science
Universiti Putra Malaysia
43400 UPM Serdang, Selangor
MALAYSIA
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--
========================================
Justin A. Lemkul
Graduate Research Assistant
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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