[gmx-users] Appropriate tool to get the number of solvent molecules within a cutoff distance around protein molecule

[OZGE ENGIN]

Thank you very much for your attention!

Best regards,
Ozge Engin


-----Original Message-----
From: Yang Ye <leafyoung81-group at yahoo.com>
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Date: Sun, 18 Mar 2007 00:35:13 +0800
Subject: Re: [gmx-users] Appropriate tool to get the number of solvent molecules within a cutoff distance around protein molecule

try g_trjorder. Some code modification may be needed.

Regards,
Yang Ye

OZGE ENGIN wrote:
> Hi,
>
> I want to calculate the number of solvent molecules within a cutoff distance around the protein molecule. I could not find the appropriate command for this in manual. Moreover, I could not understand the information for g_sorient.Could you give me a more detailed explanation for this? 
>
> Thanks in advance
>
> Ozge Engin
>
>
>
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
>
>   

_______________________________________________
gmx-users mailing list    gmx-users at gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to gmx-users-request at gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php