ing on what you feel
is necessary.
-Justin
Thanks in advance
Adrien
*From:* Justin A. Lemkul
*To:* adriendelm...@yahoo.com; Discussion list for GROMACS users
*Sent:* Thursday, March 12, 2009 12:17:57 AM
*Subject
: Thursday, March 12, 2009 12:17:57 AM
Subject: Re: [gmx-users] get a box of 100 molecules
Adrien Delmont wrote:
> If I create an .rtp file for my molecule how can I use this file when I
> producing gro and top files and Can I use this .rtp file with oplsaa and
> gromos 96 force field
is is answered in
the FAQ at the PRODRG site.
I reiterate: read the manual, be comfortable with how the file types are used,
then proceed.
-Justin
--- On *Wed, 3/11/09, Justin A. Lemkul //* wrote:
From: Justin A. Lemkul
Subject: Re: [gmx-users] get a box of 100 molecules
To: &qu
compare the results.
Secondly If I use PRODRG , the only force field I can use is oplsaa. Is it true
? Can't I use a gromos 96 force field ?
--- On Wed, 3/11/09, Justin A. Lemkul wrote:
From: Justin A. Lemkul
Subject: Re: [gmx-users] get a box of 100 molecules
To: "Gromacs Users&#x
tin A. Lemkul //* wrote:
From: Justin A. Lemkul
Subject: Re: [gmx-users] get a box of 100 molecules
To: adriendelm...@yahoo..com, "Discussion list for GROMACS users"
Date: Wednesday, March 11, 2009, 9:11 PM
Adrien Delmont wrote:
> I just want to add missing
--- On Wed, 3/11/09, Adrien Delmont wrote:
From: Adrien Delmont
Subject: Re: [gmx-users] get a box of 100 molecules
To: jalem...@vt.edu
Date: Wednesday, March 11, 2009, 9:46 PM
The molecule I use is a simple hydrocarbon ( n-heptane ) and I think that I
should add something like
hanks in advance
--- On *Wed, 3/11/09, Mark Abraham //* wrote:
From: Mark Abraham
Subject: Re: [gmx-users] get a box of 100 molecules
To: "Discussion list for GROMACS users"
Date: Wednesday, March 11, 2009
1/09, Mark Abraham wrote:
From: Mark Abraham
Subject: Re: [gmx-users] get a box of 100 molecules
To: "Discussion list for GROMACS users"
Date: Wednesday, March 11, 2009, 4:58 PM
Adrien Delmont wrote:
>
>
>
Adrien Delmont wrote:
*From:* Adrien Delmont
*To:* jalem...@vt.edu
*Sent:* Wednesday, March 11, 2009 6:09:53 PM
*Subject:* Re: [gmx-users] get a box of 100 molecules
I didn't get gro and top files with any force
From: Adrien Delmont
To: jalem...@vt.edu
Sent: Wednesday, March 11, 2009 6:09:53 PM
Subject: Re: [gmx-users] get a box of 100 molecules
I didn't get gro and top files with any force field in Gromacs. I basicly want
to use oplsaa and GROMOS96 43a2
Adrien Delmont wrote:
/Dear Users,
I'm new to Gromacs. Before I try to generate a box of 100 molecules, I wanted to ask it to the users.
Can I get a box of 100 molecules that are randomly //distributed/ /and not attached to each other using the commands below?
If there are something wrong in
Dear Users,
I'm new to Gromacs. Before I try to generate a box of 100 molecules, I wanted
to ask it to the users.
Can I get a box of 100 molecules that are randomly distributed and not attached
to each other using the commands below?
If there are something wrong in commands please share your v
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