Re: [gmx-users] RE: gmx-users Digest, Vol 75, Issue 23

2010-07-06 Thread Oliver Grant
Hi Abdul, Could you post your pdb and your command line please? I'll take a look for you. I think this is a bugzilla as mark suggested but maybe more specifically an amber ports problem. Oliver On 6 July 2010 09:48, abdul wadood wrote: > Dear gmx-usrs > > Thanks you all for you valuable sugge

Re: [gmx-users] RE: gmx-users Digest, Vol 75, Issue 23

2010-07-06 Thread Justin A. Lemkul
abdul wadood wrote: Dear gmx-usrs Thanks you all for you valuable suggestion. Unfortunately, the problem is still exist. I add the hydrogen to LEU2 but then the error come for the next amino acid. I also used the -ignh but the error was same. I dont understand one thing which is that when

[gmx-users] RE: gmx-users Digest, Vol 75, Issue 23

2010-07-06 Thread abdul wadood
Dear gmx-usrs Thanks you all for you valuable suggestion. Unfortunately, the problem is still exist. I add the hydrogen to LEU2 but then the error come for the next amino acid. I also used the -ignh but the error was same. I dont understand one thing which is that when I used simply Pro instea