[gmx-users] conversion to tip5p

[Justin A. Lemkul]

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:ddubov at 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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