CHARMM RESID error
- From: Alice NgarKit Ko <ako.,at,.cse.nd.edu>
- Subject: CHARMM RESID error
- Date: Tue, 26 Mar 2002 18:25:30 -0500 (EST)
I am new to using CHARMM. I made a water box and tried to combine the
waterbox pdb file with my protein pdb file using CHARMM and generate the
final psf file. But I got the following error:
** ERROR IN SEQRDR ** REPEATED RESID FOR 391 1391 100
when it tried to read the sequence for my waterbox. The RESID for my
water box starts from 1 and with a segment ID WATR. There is no water
molecules in my protein pdb file.
CHARMM read in my protein pdb file without a problem. Only when it got to
reading the water box. I don't know why it says I have repeated RESID.
Any suggestion will be helpful. Thanks