[gmx-users] itp file for D2O

[Surya Prakash Tiwari]

Hi,

I think you simply use #include "spce.itp" in your topology file.
Please see http://www.gromacs.org/Documentation/Include_File_Mechanism

Thanks.

Surya Prakash Tiwari



On Tue, Dec 6, 2011 at 19:53, cuong nguyen <nvcuong68 at gmail.com> wrote:
> Dear GROMACS users,
>
> I usually use spce.itp file for water solvent in my simulation. However, now
> I want to change this solvent to deuterium monoxide (D2O).
>
> Please let me know if I have to change this itp file? if yes, where can I
> find this file?
>
> Thank you very much.
>
> Best regards,
>
>
> Nguyen Van Cuong
> PhD student - Curtin University of Technology
> Mobile: (+61) 452213981
>
>
>
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