Re: [gmx-users] mdrun output structure

2006-06-30 Thread Mark Abraham
> Final structure. > > On 6/30/06, Samuel C Flores <[EMAIL PROTECTED]> wrote: >> Hi Guys, >> >> Quick question: Is the output structure of mdrun designated by -c a >> final >> structure, or an average structure? I want the final structure -- am I >> better off extracting it from the .trr? It's a

Re: [gmx-users] mdrun output structure

2006-06-30 Thread David Mobley
Final structure. On 6/30/06, Samuel C Flores <[EMAIL PROTECTED]> wrote: Hi Guys, Quick question: Is the output structure of mdrun designated by -c a final structure, or an average structure? I want the final structure -- am I better off extracting it from the .trr? Sam -Original Message

[gmx-users] mdrun output structure

2006-06-30 Thread Samuel C Flores
Hi Guys, Quick question: Is the output structure of mdrun designated by -c a final structure, or an average structure? I want the final structure -- am I better off extracting it from the .trr? Sam -Original Message- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of [EMAIL