hi all
i`m new to gromacs and am tyring to simulate a dna molecule. but i am
facing following problem on running pdb2gmx
********A PORTION OF OUTPUT********
WARNING: atom H41 is missing in residue DCYT 47 in the pdb file
You might need to add atom H41 to the hydrogen database of
residue DCYT
in the file ff???.hdb (see the manual)
WARNING: atom H42 is missing in residue DCYT 47 in the pdb file
You might need to add atom H42 to the hydrogen database of
residue DCYT
in the file ff???.hdb (see the manual)
WARNING: atom H41 is missing in residue DCYT 48 in the pdb file
You might need to add atom H41 to the hydrogen database of
residue DCYT
in the file ff???.hdb (see the manual)
WARNING: atom H42 is missing in residue DCYT 48 in the pdb file
You might need to add atom H42 to the hydrogen database of
residue DCYT
in the file ff???.hdb (see the manual)
-------------------------------------------------------
Program pdb2gmx, VERSION 3.3
Source code file: pdb2top.c, line: 697
Fatal error:
There were 102 missing atoms in molecule Protein, if you want to use this
incomplete topology anyhow, use the option -missing
-------------------------------------------------------
kindly help me solve this problem
regards,
Manish Datt
Research Scholar
Bioinformatics Centre
Institute of Microbial Technology
Sector 39A, Chandigarh-160036
India.
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
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
