Re: [gmx-users] RMSD

be useful, maybe. -- Gianluca Santoni, Institut de Biologie Structurale 41 rue Horowitz Grenoble _ Please avoid sending me Word or PowerPoint attachments. See http://www.gnu.org/philosophy/no-word-attachments.html -- gmx-users mailing list

Re: [gmx-users] How to obtain .gro file from unfinished simulation?

http://manual.gromacs.org/online/trjconv.html -- Gianluca Santoni, Institut de Biologie Structurale 41 rue Horowitz Grenoble _ Please avoid sending me Word or PowerPoint attachments. See http://www.gnu.org/philosophy/no-word-attachments.html -- gmx-

Re: [gmx-users] H bonds

created by g_hbond -hbn . -- Gianluca Santoni, Institut de Biologie Structurale 41 rue Horowitz Grenoble _ Please avoid sending me Word or PowerPoint attachments. See http://www.gnu.org/philosophy/no-word-attachments.html -- gmx-users ma

Re: [gmx-users] Cuda not detected

More detailed info on the gromacs manual. -- Gianluca Santoni, Institut de Biologie Structurale 41 rue Horowitz Grenoble _ Please avoid sending me Word or PowerPoint attachments. See http://www.gnu.org/philosophy/no-word

[gmx-users] Issue in membrane simulation How To

it doesn't seem to do its job properly. Ciao! -- Gianluca Santoni, Institut de Biologie Structurale 41 rue Horowitz Grenoble _ Please avoid sending me Word or PowerPoint attachments. See http://www.gnu.org/philosophy/no-word-attachments.h

Re: [gmx-users] Output of g_hbond

ich is significantly lower than the value (10) obtained in hbnum.xvg. Third column should be simply pairs within 0.35nm, at any angle. I don't what's wrong. Thanks Hu Qiu -- Gianluca Santoni, Institut de Biologie Structurale 41 rue Horowitz Grenoble ___

Re: [gmx-users] T-coupling

file. Tcoup is berendsen. How can I solve these problems? Best regards, Sarah -- Gianluca Santoni, Institut de Biologie Structurale 41 rue Horowitz Grenoble _ Please avoid sending me Word or PowerPoint attachments. See http://www.gnu.org/phi

Re: [gmx-users] grompp line too long error

re.iask.sina.com.cn/f/21401866.html?w=%27%20target=%27_blank%27> -- Gianluca Santoni, Institut de Biologie Structurale 41 rue Horowitz Grenoble _ Please avoid sending me Word or PowerPoint attachments. See http://www.gnu.org/philosophy/no-word-att

Re: [gmx-users] grompp error

n I don't know which file "Group Ptotein" is in and where I should make change. Can you help me? Thanks in advance. Yeping Sun CAS Key Laboratory of Pathogenic Microbiology & Immunology INSTITUTE OF MICROBIOLOGY CHINESE ACADEMY OF SCIENCES NO.1 Beichen West Road,Chaoyang Distri

Re: [gmx-users] g(r) and <ρB>local

't the possibility to have g(r) --> 1 at rmax. You can help me? I am in error? Thanks Anna -- Gianluca Santoni, Institut de Biologie Structurale 41 rue Horowitz Grenoble _ Please avoid sending me Word or PowerPoint attachme

Re: [gmx-users] Regarding inter helical distance using g_bundle

ier choice. -- Gianluca Santoni, Institut de Biologie Structurale 41 rue Horowitz Grenoble _ Please avoid sending me Word or PowerPoint attachments. See http://www.gnu.org/philosophy/no-word-attachments.html -- gmx-users mailing list

[gmx-users] Implicit solvent tutorial

Hi gmx_users, is there any tutorial for implicit solvent simulation available? Thanks! -- Gianluca Santoni, Institut de Biologie Structurale 41 rue Horowitz Grenoble _ Please avoid sending me Word or PowerPoint attachments. See http

Re: [gmx-users] select groups in g_rms

Pathogenic Microbiology & Immunology INSTITUTE OF MICROBIOLOGY CHINESE ACADEMY OF SCIENCES NO.1 Beichen West Road,Chaoyang District,Beijing 100101,china -- Gianluca Santoni, Structural Protein Dynamics Research Team Institut de Biologie Structurale 41 rue Jules Horowitz