RE: [gmx-users] AA not present in the ffG43a1.rtp

2008-04-08 Thread Kukol, Andreas
Of Mattia Sturlese > Sent: 08 April 2008 11:54 > To: gmx-users@gromacs.org > Subject: [gmx-users] AA not present in the ffG43a1.rtp > > Dear all, > I have a protein with an oxidated Cys( to sulfinic acid) , this > residue is not present in the residue database. I use PRODGR to

Re: [gmx-users] AA not present in the ffG43a1.rtp

2008-04-08 Thread Justin A. Lemkul
Quoting Mattia Sturlese <[EMAIL PROTECTED]>: > Dear all, > I have a protein with an oxidated Cys( to sulfinic acid) , this > residue is not present in the residue database. I use PRODGR to obtain > the .itp file of the residue but I don't start grompp Be aware that the charges given by

[gmx-users] AA not present in the ffG43a1.rtp

2008-04-08 Thread Mattia Sturlese
Dear all, I have a protein with an oxidated Cys( to sulfinic acid) , this residue is not present in the residue database. I use PRODGR to obtain the .itp file of the residue but I don't start grompp How I insert this residue in the rtp file?? I trying insert the parameters manually