Dear Mark, The chain identifier have continuous. In sequence does not show any problem.
29 Aralık 2010 15:10 tarihinde Mark Abraham <mark.abra...@anu.edu.au> yazdı: > On 29/12/2010 10:12 PM, ahmet yıldırım wrote: > >> Dear users, >> >> a...@ubuntu:~/Desktop/3O87$ pdb2gmx -f 3O87.pdb -water tip3p >> >> Select the Force Field: >> 5: OPLS-AA/L all-atom force field (2001 aminoacid dihedrals) >> >> Fatal error: >> Chain identifier 'A' was used in two non-sequential blocks (residue 710, >> atom 54 49) >> >> What should I do to correct this error? >> > > Look at the entries whose chain identifier is A, and see why they are > non-sequential, and take suitable action to remedy. You may need to Google > for the PDB file format if you don't already understand it. > > Mark > > > >> Thanks in advance >> >> -- >> Ahmet YILDIRIM >> > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the www interface > or send it to gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- Ahmet YILDIRIM
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