Re: [AMBER] solvatebox iso error

From: Ahmed Mashaly <mashaly_1988.yahoo.com>
Date: Thu, 8 Feb 2018 16:32:58 +0000 (UTC)

And this is the molecule if you wanna tryhttps://drive.google.com/open?id=17CfGKuPlrEjMbml48EO_ka1rJK2b6SqZ


 Kind Regards,Ahmed 



      From: Daniel Roe <daniel.r.roe.gmail.com>
 To: Ahmed Mashaly <mashaly_1988.yahoo.com>; AMBER Mailing List <amber.ambermd.org>
 Sent: Thursday, February 8, 2018 1:14 PM
 Subject: Re: [AMBER] solvatebox iso error
   
Hi,

What version of AmberTools are you using? Also, can you provide all of
the commands you are giving to leap? I can't seem to reproduce your
error.

-Dan



On Wed, Feb 7, 2018 at 1:10 PM, Ahmed Mashaly <mashaly_1988.yahoo.com> wrote:
> Hi
> When I use this command solvatebox prot TIP3PBOX 15 iso
> I have this weird boxhttps://drive.google.com/open?id=1xslAwz-0YnDAtfU-u2AZ68JuozKfpzgF
>
> It works fine without iso, but I need a cubic box, not a rectangular one!! Kind Regards,Ahmed
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber 



-- 
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Thu Feb 08 2018 - 09:00:02 PST
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