[gmx-users] genbox & protein internal H2O

Hi, I am wanting to solvate a protein w/o adding H2O to its interior. Reasons: 1. I am interested to know how the structural H2Os behave initially w/o interference from added H2O. 2. Added H2O also introduce steric constraints that prevent EM from achieving its goal, even w/o constrain

Re: [gmx-users] Re: Install problem

My thnaks to all those who responed with suggestions on the install problem: In order: 1. David van der Spoel Indeed using the c-shell fixes the problem completely 2. Ibrahim An interesting idea using GMXBIN, but since using the c-shell fixed my problem, it feels more natural just to keep

[gmx-users] install problem

but only with the full path specified does it execute without a segmentation fault. Any advice on how to fix this problem would be greatly appreciated. John Mercer ___ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/list

[gmx-users] segmentation fault

/share/gromacs/top/gurgle.dat" 3991 luck RET open 3 3991 luck CALL fstat(0x3,0xbfffe6a8) 3991 luck RET fstat 0 3991 luck CALL read(0x3,0x1800800,0x1000) 3991 luck GIO fd 3 read 4096 bytes . . . continues with a normal exit Is it possible that "PATH&qu