[gmx-users] pdb2gmx file error

2009-05-20 Thread yimnai forlemu
Hi Justin I am trying to prep a pdb file for md but keep on getting this error message Fatal error: Chain identifier 'O' was used in two non-sequential blocks (residue 2400, atom 18726) Fatal error: But when I look at the file I only have one chain identifier. Also when I strip off hydrogens an

Re: [gmx-users] compilation error

2009-04-02 Thread yimnai forlemu
Hello I am using a f90 compiler ( MIPSpro Compilers: Version 7.4.2m) --- En date de : Jeu 2.4.09, Mark Abraham a écrit : De: Mark Abraham Objet: Re: [gmx-users] compilation error À: "Discussion list for GROMACS users" Date: Jeudi 2 Avril 2009, 6h08 yimnai forlemu wrote: >

[gmx-users] compilation error

2009-04-01 Thread yimnai forlemu
Hello, I need some help figuring out how to compile gromacs on and sgi or linux machine. This is the error I get after using the make command to compile gromacs. Need some suggestions. Thanks source='gmx_wham.c' object='gmx_wham.lo' libtool=yes \     DEPDIR=.deps depmode=sgi /bin/sh