subject:"\[gmx\-users\] .top file incoherent with the values in the ffbonded.itp file"

Re: [gmx-users] .top file incoherent with the values in the ffbonded.itp file

2012-06-29 Thread Justin A. Lemkul

On 6/29/12 3:55 PM, sreeta.g wrote: Hello My A.gro file is: 1PvB CB1 3.109 2.784 0.803 0. 0. 0. 1PvBHB12 3.156 2.880 0.843 0. 0. 0. 1PvBHB23 2.997 2.797 0.819 0. 0. 0. 1PvBHB34 3.12

[gmx-users] .top file incoherent with the values in the ffbonded.itp file

2012-06-29 Thread sreeta.g

Hello My A.gro file is: 1PvB CB1 3.109 2.784 0.803 0. 0. 0. 1PvBHB12 3.156 2.880 0.843 0. 0. 0. 1PvBHB23 2.997 2.797 0.819 0. 0. 0. 1PvBHB34 3.129 2.765 0.693 0. 0. 0.