Re: [gmx-users] alamethicin error

pragya chohan wrote: Thanks Mark. The C terminal does not have a -COOH group at the end but rater has a -OH group PHL is actually PHENYLALANINOL. But when i put option 2 whn prompted for select C-terminus type (end)>> 0: COO->> 1: COOH>> 2: None Well that won't give you phenylalaninol as

RE: [gmx-users] alamethicin error

> Date: Fri, 2 Nov 2007 09:39:36 +1100> From: [EMAIL PROTECTED]> To: gmx-users@gromacs.org> Subject: Re: [gmx-users] alamethicin error>> pragya chohan wrote:>> i got this error "atom C not found in residue 84PHL while combin

Re: [gmx-users] alamethicin error

pragya chohan wrote: i got this error "atom C not found in residue 84PHL while combining tdb and rtp" when i tried to do pdb2gmx the commamd used is: pdb2gmx -ter -ff gmx -f alamethicin.pdb -o alamethicin.gro -p ala.top There's a warning given by pdb2gmx about this forcefield. You would do we

[gmx-users] alamethicin error

i got this error "atom C not found in residue 84PHL while combining tdb and rtp" when i tried to do pdb2gmx the commamd used is: pdb2gmx -ter -ff gmx -f alamethicin.pdb -o alamethicin.gro -p ala.top Select N-terminus type (start) 0: NH3+ 1: NH2 2: None 2 N-terminus: None Select C-terminus type