Re: [gmx-users] gromacs (4.5) installation problem

2010-09-30 Thread Justin A. Lemkul
Moeed wrote: Dear experts, I have installed newest version of gromacs (4.5) on our cluster. When I issue the command below to test installation I get an error about atom type CU+2. I am not using such atom type at all! Could you please help me what wrong is. Thanks. My system contains only C

[gmx-users] gromacs (4.5) installation problem

2010-09-30 Thread Moeed
Dear experts, I have installed newest version of gromacs (4.5) on our cluster. When I issue the command below to test installation I get an error about atom type CU+2. I am not using such atom type at all! Could you please help me what wrong is. Thanks. My system contains only C and H atoms!. For

Re: [gmx-users] gromacs (4.5) installation

2010-09-07 Thread Justin A. Lemkul
Moeed wrote: Dear experts, I have installed newest version of gromacs (4.5) on our cluster. When I issue the command below to test installation I get an error about atom type CU+2. I am not using such atom type at all! Could you please help me what wrong is. Thanks. No one can tell unle

[gmx-users] gromacs (4.5) installation

2010-09-07 Thread Moeed
Dear experts, I have installed newest version of gromacs (4.5) on our cluster. When I issue the command below to test installation I get an error about atom type CU+2. I am not using such atom type at all! Could you please help me what wrong is. Thanks. grompp -f *.mdp -c *.gro -p *.top -o out >