Re: [gmx-users] To deshuffle or not to deshuffle, that is a question.

Thanks guys. I guess I'll be running it again. I only deshuffled 3) to 4) On 9/14/07, Yang Ye <[EMAIL PROTECTED]> wrote: > On 9/14/2007 5:35 PM, [EMAIL PROTECTED] wrote: > > Selon Yang Ye <[EMAIL PROTECTED]>: > > > > > >> Deshuffling shall be made before 2), 3) and 4). > >> > > > > Furthermore, be

Re: [gmx-users] To deshuffle or not to deshuffle, that is a question.

On 9/14/2007 5:35 PM, [EMAIL PROTECTED] wrote: Selon Yang Ye <[EMAIL PROTECTED]>: Deshuffling shall be made before 2), 3) and 4). Furthermore, be aware that if you use the 'sort' option, you'll also need to desort ... IIRC, there is a g_desort program that does all in one (it was publ

Re: [gmx-users] To deshuffle or not to deshuffle, that is a question.

Selon Yang Ye <[EMAIL PROTECTED]>: > Deshuffling shall be made before 2), 3) and 4). Furthermore, be aware that if you use the 'sort' option, you'll also need to desort ... IIRC, there is a g_desort program that does all in one (it was published on the list some time ago), and should be avaialbe

Re: [gmx-users] To deshuffle or not to deshuffle, that is a question.

Deshuffling shall be made before 2), 3) and 4). On 9/14/2007 11:36 AM, Frankie Montenegro wrote: Hi guys, A stupid question: I got myself confused with this shuffling/deshuffling thing, which I shouldn't have been doing with protein in the first place. So this are my steps, done on the same 4

[gmx-users] To deshuffle or not to deshuffle, that is a question.

Hi guys, A stupid question: I got myself confused with this shuffling/deshuffling thing, which I shouldn't have been doing with protein in the first place. So this are my steps, done on the same 4 nodes, please tell me whether I was supposed to do any deshuffling of .trr and .gro files, and fol