I took all the parameters of Ptyr from amber parameter database and followed what was said in the documentation. Shall mail the changes made for topology
On Fri, Jun 17, 2011 at 5:17 PM, Mark Abraham <mark.abra...@anu.edu.au>wrote: > On 06/17/2011 12:18 PM, bharat gupta wrote: > >> thanks.. I fixed the problem by using the command execstack -c filename >> >> >> but I have another issue .. I am am preparing the structure for simulation >> which is a docked complex containing Phospharylated tyrosine. I am using >> Amber 99 force field and update the residuetypes.dat, aminoacid.rtp, >> ffbonded.itp files for pTYR but still the error that "Residue 'PTYR' not >> found in residue topology database" ... but all the changes I have made then >> where else could the problem be ?? >> > > Isn't it rather more likely your error is in something you've already done? > Be sure you have followed http://www.gromacs.org/** > Documentation/How-tos/Adding_**a_Residue_to_a_Force_Field<http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field> > > Mark > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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<http://www.gromacs.org/Support/Mailing_Lists> > -- Bharat Ph.D. Candidate Room No. : 7202A, 2nd Floor Biomolecular Engineering Laboratory Division of Chemical Engineering and Polymer Science Pusan National University Busan -609735 South Korea Lab phone no. - +82-51-510-3680, +82-51-583-8343 Mobile no. - 010-5818-3680 E-mail : monu46...@yahoo.com
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