<br>Hi!<br><br>I am trying to do my position restrained dynamic simulation on GROMACS 4.0.4, and I want to use 4 nodes on the cpu cluster available at my campus; I typed in the following grompp command:<br><br><meta http-equiv="Content-Type" content="text/html; charset=utf-8"><meta name="ProgId" content="Word.Document"><meta name="Generator" content="Microsoft Word 10"><meta name="Originator" content="Microsoft Word 10"><link rel="File-List" href="file:///C:%5CDOCUME%7E1%5CHALIES%7E1.HAL%5CLOCALS%7E1%5CTemp%5Cmsohtml1%5C01%5Cclip_filelist.xml"><style>
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</style><span style="font-size: 11pt; line-height: 115%; font-family: Calibri;">grompp -np 4 -f pr.mdp -c BR6_em.pdb -p BR6.top -o
BR6_pr.tpr -n prot.ndx -maxwarn 10<br><br>and it gave me the response that -np is an invalid command.<br><br>How do I get grompp to rec. that I want to use 4 processors? Because my job script where I have specified 4 nodes, will not work unless I have np 4 included in my grompp. I did see that it works with GROMACS 3.3.3...but is there a way to do it with 4.0.4?<br>
<br>Thanks so much!<br><br>Halie Shah<br>University of Houston, TX U.S.<br>Briggs Lab<br></span>