Re: [gmx-users] Atomtype CMET not found

¿Did you change also the name of the “residue” (from 1MeOH to 1CH3OH (that is the “residue” name appearing in the RTP file))? Best regards Lucio From: Mina Madah Sent: Tuesday, November 16, 2010 6:00 AM To: gmx-users@gromacs.org Subject: [gmx-users] Atomtype CMET not found Dear all

Re: [gmx-users] Atomtype CMET not found

Mina Madah wrote: Dear all I am using gromacs 4.5.1. I am running gromacs examples (methanol). when I use grompp -v, I encounter a fatal error: Atomtype CMET not found. I understand gromacs use ffG43a1. In rtp file of this forcefield there is: [ CH3OH ] [ atoms ] Omet OMet-0.57400

[gmx-users] Atomtype CMET not found

Dear all I am using gromacs 4.5.1. I am running gromacs examples (methanol). when I use grompp -v, I encounter a fatal error: Atomtype CMET not found. I understand gromacs use ffG43a1. In rtp file of this forcefield there is: [ CH3OH ]  [ atoms ]  Omet  OMet    -0.57400 0  HMet H