Re: [gmx-users] Regarding atom numbering in .top and .gro files

2013-09-28 Thread Justin Lemkul
On 9/28/13 11:20 AM, bipin singh wrote: Hi all, I want to put off constraint between some bonds in my system based on their atom numbers but the .gro file and .top file atom numbers do not match, because I used .pdb file to generate this .top file using pdb2gmx. (the top files contains the ato

[gmx-users] Regarding atom numbering in .top and .gro files

2013-09-28 Thread bipin singh
Hi all, I want to put off constraint between some bonds in my system based on their atom numbers but the .gro file and .top file atom numbers do not match, because I used .pdb file to generate this .top file using pdb2gmx. (the top files contains the atom numbers based on this initial input .pdb f