Hi, You need to specify the input file with -f flag and -i is for the itp file which is the output and that is any way created by default. Just remove -i from the command and it will work. best, sharada -- Original Message -- From: Asmaa Elsheshiny <[email protected]> To: "[email protected]" <[email protected]> Date: Thu, 1 Oct 2009 11:36:43 +0100 Subject: [gmx-users] pdb2gmx Dear All, I tried to use the following command line pdb2gmx -f -i brady.pdb -o brady.gro -p brady.top -ignh But I get the following error massage File input/output error: eiwit.pdb So I tried to modify aminoacides.dat to include all the required aminoacids residues but , I failed because these files are readonly . So, How can I fix this problem. Cheers, Asmaa _______________________________________________ gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
_______________________________________________ gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
