Re: [gmx-users] grompp error (segmentation fault)in gromacs version 5.0.6

2016-08-09 Thread Justin Lemkul
On 8/9/16 2:51 AM, iamdsoumi wrote: Hi, I carry on md run on protein-dna complex using AMBER99SB-ILDN force field. Here I state my problem. gmx_mpi pdb2gmx -f em267.pdb -o em267_processed.gro -p topol.top -water tip3p -ignh it compile successfully. gmx_mpi editcon

[gmx-users] grompp error (segmentation fault)in gromacs version 5.0.6

2016-08-08 Thread iamdsoumi
Hi, I carry on md run on protein-dna complex using AMBER99SB-ILDN force field. Here I state my problem. gmx_mpi pdb2gmx -f em267.pdb -o em267_processed.gro -p topol.top -water tip3p -ignh it compile successfully. gmx_mpi editconf -f em267_processed.gro -o em267_newbox

[gmx-users] grompp error(Segmentation fault)in gromacs version 5.0.6

2016-08-05 Thread soumi
Hi,    I carry on md run on protein-dna complex using  AMBER99SB-ILDN force field. Here I state my problem.   gmx_mpi pdb2gmx -f em267.pdb -o em267_processed.gro -p topol.top -water tip3p -ignh  it compile successfully.  gmx_mpi editconf -f em267_processed.gro -o em267_newbox.