[gmx-users] (no subject)

Hi users I put dssp program in /home/hadi when I type the following commend to run the program do_dssp -s pr -f full I encounter to this error Program do_dssp, VERSION 3.3 Source code file: do_dssp.c, line: 448 Fatal error: DSSP executable (/usr/local/bin/dssp) does not

[gmx-users] request

Hi all users I constructed topology and gro (1.gro and 1.top) file for propane ( CH3CH2CH3) molecule from PRODRG server as follow: 1.go PRODRG COORDS 3 1DRG CAB 1 -0.128 0.172 0.000 1DRG CAA 2 -0.128 0.019 0.000 1DRG CAC 3 0.01

[gmx-users] (no subject)

Hello, all My question is how can I generate topology file for propanol compound and generate a suitable topology in water solvent. thanks a lot Thank a lot foryour guidance. - Want to start your own business? Learn how on Yahoo!

[gmx-users] forcefield

Hi all of users   For HHAHHAADAAHHAAD peptide what kinde of force field is better ?     New Yahoo! Messenger with Voice. Call regular phones from your PC and save big.___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman

[gmx-users] request

 hello I have a topology file for propanol  as is in below , how we can obtain topology file for 100 molecule of propanol thanks     ;   ;   ;   This file was generated by PRODRG version 051202.0518;   PRODRG written/copyrighted by Daan van Aalten;   ;   Questions/comm