Dmitri Dubov wrote:
Hi, all


Using gromacs 3.3 I try to work with tip5 water, but I fail to convert water molecules of gro-file to tip5 kind. Conversion to tip4p from spc is easy with pdb2gmx


pdb2gmx -f my_spc.gro -water tip4p -o my_tip4.gro -p my_tip4.top

, but when I apply similar command for tip5p, the output gro-file contains only four-point water molecules.


Could anyone help me?


Upgrade to gromacs-4.0.5; what you want to do works for me.

-Justin

--

Regards,

 Dmitri                          mailto:ddu...@ngs.ru


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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
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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