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___ From: gmx-users-boun...@gromacs.org
[gmx-users-boun...@gromacs.org] On Behalf Of Tsjerk Wassenaar
[tsje...@gmail.com] Sent: Wednesday, April 22, 2009 11:53 AM To: Discussion
list for GROMACS users Subject: Re: [gmx-users] about the bond connection
between dif
Tuesday, April 21, 2009 11:22 PM
To: jalem...@vt.edu; Discussion list for GROMACS users
Subject: Re: [gmx-users] about the bond connection between different groups
Hi He Yang, Justin,
You have said bonds between distinct molecules require a merged topology.
Is
there any introduction i
_
From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] On Behalf
Of Tsjerk Wassenaar [tsje...@gmail.com]
Sent: Wednesday, April 22, 2009 11:53 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] about the bond connection between different gro
ail.com]
> Sent: Tuesday, April 21, 2009 11:22 PM
> To: jalem...@vt.edu; Discussion list for GROMACS users
> Subject: Re: [gmx-users] about the bond connection between different groups
>
> Hi He Yang, Justin,
>
>>> You have said bonds between distinct molecules require a merged to
[gmx-users-boun...@gromacs.org] On Behalf
Of Tsjerk Wassenaar [tsje...@gmail.com]
Sent: Tuesday, April 21, 2009 11:22 PM
To: jalem...@vt.edu; Discussion list for GROMACS users
Subject: Re: [gmx-users] about the bond connection between different groups
Hi He Yang, Justin,
>> You have said bo
Hi He Yang, Justin,
>> You have said bonds between distinct molecules require a merged topology.
>> Is
>> there any introduction in the manual or Do you have any example about the
>> merged topology?
>>
>
> A merged topology contains multiple moleculetype definitions in one
> topol.top. Discussion
reply .
Yang From:
gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] On Behalf Of
Justin A. Lemkul [jalem...@vt.edu] Sent: Tuesday, April 21, 2009 5:49 PM To:
Discussion list for GROMACS users Subject: Re: [gmx-users] about the bond
connection
-users-boun...@gromacs.org] On Behalf
Of Justin A. Lemkul [jalem...@vt.edu]
Sent: Tuesday, April 21, 2009 5:49 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] about the bond connection between different groups
He, Yang wrote:
> Hi all users,
>
> I wonder whether it is a
He, Yang wrote:
Hi all users,
I wonder whether it is allowed to define the bond connection between different
group in gromacs. Suppose atom A is in group1 and there is another atom B in
group2 .Then, I want to define bond between atom A and B. I am not sure whether
this is available in grom
Hi all users,
I wonder whether it is allowed to define the bond connection between different
group in gromacs. Suppose atom A is in group1 and there is another atom B in
group2 .Then, I want to define bond between atom A and B. I am not sure whether
this is available in gromcas.
Thank you for
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