Re: [gmx-users] make-hole

2009-03-18 Thread Justin A. Lemkul
Urszula Uciechowska wrote: Dear users, I am new to gromacs. I want to make a hole in center of lipid bilayer. My first question is... How can I get the cx,cy and r values? Its not clear in the manual, and also lipat P8 how to know if its not lipat P6 etc. and what is lipid DMPC ? Your q

[gmx-users] make-hole

2009-03-18 Thread Urszula Uciechowska
Dear users, I am new to gromacs. I want to make a hole in center of lipid bilayer. My first question is... How can I get the cx,cy and r values? Its not clear in the manual, and also lipat P8 how to know if its not lipat P6 etc. and what is lipid DMPC ? Thanks in advance for any help Best

Re: [gmx-users] make hole with gromacs 3.1.4 error : Unknown left-hand iconstraint_algorithm in parameter file

2009-03-13 Thread Mark Abraham
sitiazma wrote: Hi gromacs users, does anyone knows why I got this error from grompp > grompp -f run.mdp -o dmpc.tpr -c dmpc.pdb -n index.ndx -p topol.top WARNING 1 [file run.mdp, line unknown]: Unknown left-hand iconstraint_algorithm in parameter file Yep. Like the message says, it's bec

Re: [gmx-users] make hole with gromacs 3.1.4 error : Unknown left-hand iconstraint_algorithm in parameter file

2009-03-13 Thread Justin A. Lemkul
sitiazma wrote: Hi gromacs users, does anyone knows why I got this error from grompp > grompp -f run.mdp -o dmpc.tpr -c dmpc.pdb -n index.ndx -p topol.top WARNING 1 [file run.mdp, line unknown]: Unknown left-hand iconstraint_algorithm in parameter file You have a typo. The error messa

[gmx-users] make hole with gromacs 3.1.4 error : Unknown left-hand iconstraint_algorithm in parameter file

2009-03-13 Thread sitiazma
Hi gromacs users, does anyone knows why I got this error from grompp > grompp -f run.mdp -o dmpc.tpr -c dmpc.pdb -n index.ndx -p topol.top WARNING 1 [file run.mdp, line unknown]: Unknown left-hand iconstraint_algorithm in parameter file I run gromacs 3.1.4 to make a hole in lipids using MSMS

Re: [gmx-users] make hole question

2007-11-17 Thread Alok
3.1.4 or previous - Original Message - From: "Andrei Neamtu" <[EMAIL PROTECTED]> To: Sent: Saturday, November 17, 2007 11:29 PM Subject: [gmx-users] make hole question Hello gmx, I have a quick question: with what distribution of gromacs the mdrun make hole

[gmx-users] make hole question

2007-11-17 Thread Andrei Neamtu
Hello gmx, I have a quick question: with what distribution of gromacs the mdrun make hole works? Cu bine, Andrei ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://w

[gmx-users] make-hole,grasp

2007-06-25 Thread Chris Neale
Dear all I want to make hole in popc. i prepared the grasp molecular surface . how can i use grasp result in run make-hole. thanks This sound like your previous message : http://www.gromacs.org/pipermail/gmx-users/2007-June/027994.html And here is my previous answer : http://www.gromacs.org/p

[gmx-users] make-hole,grasp

2007-06-25 Thread mahbubeh zarrabi
Dear all I want to make hole in popc. i prepared the grasp molecular surface . how can i use grasp result in run make-hole. thanks Be a better Globetrotter. Get better travel answers from someone who kno

[gmx-users] make-hole

2007-06-19 Thread mahbubeh zarrabi
Dear all I want to insert protein in bilayer. in make-hole program, what is -r -cx and -cy ? how can i select them?(they are grasp result or no) best regards Building a website is a piece of cake. Yahoo

[gmx-users] make-hole

2007-06-13 Thread Chris Neale
I want to make hole in center of popc bilayer . how ?can i do it by make-hole program?(cx,cy=?) You can read the manual. Once you unpack the files you will have README.hole That file contains installation instructions (gromacs-3.1.4 only) and a link to usage instructions. _

[gmx-users] make-hole

2007-06-13 Thread mahbubeh zarrabi
Dear all I want to make hole in center of popc bilayer . how can i do it by make-hole program?(cx,cy=?) thanks 8:00? 8:25? 8:40? Find a flick in no time with the Yahoo! Search movie showtime shortcut. http://