[gmx-users] libXm.so.3

2007-04-18 Thread WILLIAM R WELCH
Gromacsers I have been running jobs successfully for a while, submitting them directly, but when I submitt them to the q (qsub) I get an error from grompp that it can't find libXm.so.3. I recompiled with configure option --without-motif-include, but that did not get rid of the problem. How

Re: [gmx-users] genbox using TIP3P?--Nevermind

2007-02-02 Thread WILLIAM R WELCH
Nevermind, I made one using VMD, it solvated my protien just fine. - Original Message - From: WILLIAM R WELCH [EMAIL PROTECTED] Date: Friday, February 2, 2007 3:25 pm Subject: [gmx-users] genbox using TIP3P? To: Discussion list for GROMACS users gmx-users@gromacs.org Hello I would

[gmx-users] broken links in online tutorial files

2007-01-22 Thread WILLIAM R WELCH
The links for Getting Started-Main Table of Contents on the page(www.gromacs.org/blogcategory/page_2.html) are all broken. Does anyone know of a way to access these files? Will ___ gmx-users mailing listgmx-users@gromacs.org

[gmx-users] 2 questions: pdb2gmx and genbox

2007-01-10 Thread WILLIAM R WELCH
Hello, I am a brand new gromacs user--I have been banging my head against the wall with the manual for some time, so if someone could be so gracious, I have 2 simple questions: In the tutorial files I obtained in gromacs 3.3, on if I use pdb2gmx with no file specified, I get the input/output