Re: [gmx-users] about the bond connection between different groups

2009-04-22 Thread Justin A. Lemkul
ng ___ 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

Re: [gmx-users] about the bond connection between different groups

2009-04-22 Thread Steve Fiedler
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

RE: [gmx-users] about the bond connection between different groups

2009-04-22 Thread He, Yang
_ 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

Re: [gmx-users] about the bond connection between different groups

2009-04-22 Thread Tsjerk Wassenaar
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

RE: [gmx-users] about the bond connection between different groups

2009-04-22 Thread He, Yang
[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

Re: [gmx-users] about the bond connection between different groups

2009-04-21 Thread Tsjerk Wassenaar
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

Re: [gmx-users] about the bond connection between different groups

2009-04-21 Thread Justin A. Lemkul
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

RE: [gmx-users] about the bond connection between different groups

2009-04-21 Thread He, Yang
-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

Re: [gmx-users] about the bond connection between different groups

2009-04-21 Thread Justin A. Lemkul
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

[gmx-users] about the bond connection between different groups

2009-04-21 Thread He, Yang
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