Re: [gmx-users] x2top & Encad all-atom force field (vacuum)

2009-04-08 Thread Justin A. Lemkul
David van der Spoel wrote: Justin A. Lemkul wrote: darre...@ece.ubc.ca wrote: As suggested, I searched the mailing list using the keyword "n2t". The search returned 143 results. I read through all the posts but could not find one that explained to me what each column in the the file ffopl

Re: [gmx-users] x2top & Encad all-atom force field (vacuum)

2009-04-08 Thread David van der Spoel
Justin A. Lemkul wrote: darre...@ece.ubc.ca wrote: As suggested, I searched the mailing list using the keyword "n2t". The search returned 143 results. I read through all the posts but could not find one that explained to me what each column in the the file ffoplsaa.n2t represents. Could you

Re: [gmx-users] x2top & Encad all-atom force field (vacuum)

2009-04-08 Thread Justin A. Lemkul
darre...@ece.ubc.ca wrote: As suggested, I searched the mailing list using the keyword "n2t". The search returned 143 results. I read through all the posts but could not find one that explained to me what each column in the the file ffoplsaa.n2t represents. Could you please direct me to the s

Re: Re: [gmx-users] x2top & Encad all-atom force field (vacuum)

2009-04-08 Thread darrellk
w. Thanks. Darrell > >Message: 3 >Date: Mon, 06 Apr 2009 20:58:54 +0200 >From: David van der Spoel >Subject: Re: [gmx-users] x2top & Encad all-atom force field (vacuum) >To: Discussion list for GROMACS users >Message-ID: <49da50ee.8070...@xray.bmc.uu.se> >Content-

Re: [gmx-users] x2top & Encad all-atom force field (vacuum)

2009-04-06 Thread David van der Spoel
/2/2009, "" <> wrote: Date: Wed, 01 Apr 2009 22:38:28 +0200 From: David van der Spoel Subject: Re: [gmx-users] x2top & Encad all-atom force field (vacuum) not recognizing bonds To: Discussion list for GROMACS users Message-ID: <49d3d0c4.4040...@xray.bmc.uu

Re: [gmx-users] x2top & Encad all-atom force field (vacuum)

2009-04-06 Thread darrellk
; <> wrote: >>Date: Wed, 01 Apr 2009 22:38:28 +0200 >>From: David van der Spoel >>Subject: Re: [gmx-users] x2top & Encad all-atom force field (vacuum) >> not recognizing bonds >>To: Discussion list for GROMACS users >>Message-ID: <49d3d0c4.4040

Re: [gmx-users] x2top & Encad all-atom force field (vacuum)

2009-04-01 Thread darrellk
>Date: Wed, 01 Apr 2009 22:38:28 +0200 >From: David van der Spoel >Subject: Re: [gmx-users] x2top & Encad all-atom force field (vacuum) > not recognizing bonds >To: Discussion list for GROMACS users >Message-ID: <49d3d0c4.4040...@xray.bmc.uu.se> >Conten

Re: [gmx-users] x2top & Encad all-atom force field (vacuum) not recognizing bonds

2009-04-01 Thread David van der Spoel
darre...@ece.ubc.ca wrote: Dear All, I have been trying to determine why I am experiencing problems when I run a gromacs file through x2top. I have checked my gromacs file with VMD to ensure that the file is correct and VMD validates that my file is correct as I see the intended structure. Thus,

[gmx-users] x2top & Encad all-atom force field (vacuum) not recognizing bonds

2009-04-01 Thread darrellk
Dear All, I have been trying to determine why I am experiencing problems when I run a gromacs file through x2top. I have checked my gromacs file with VMD to ensure that the file is correct and VMD validates that my file is correct as I see the intended structure. Thus, the atoms are indeed located